ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

23040501

Analogs

39548542

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-1-methylsulfonyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	2.59	-20.39	1	5	0	66	274.386	4	↓ MOL2 SDF SMILES Flexibase

23040502

Analogs

39548542

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-1-methylsulfonyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-1-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	2.59	-15.45	1	5	0	66	274.386	4	↓ MOL2 SDF SMILES Flexibase

23042234

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-1-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.17	3.5	-14.97	1	5	0	66	288.413	5	↓ MOL2 SDF SMILES Flexibase

23042235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-1-ethylsulfonyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-1-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.17	3.49	-20.07	1	5	0	66	288.413	5	↓ MOL2 SDF SMILES Flexibase

57992328

Analogs

12847959
12847965

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-1-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	6.09	-14.75	1	4	0	49	266.385	4	↓ MOL2 SDF SMILES Flexibase

57992332

Analogs

12847959
12847965

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-1-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	6.2	-12.1	1	4	0	49	266.385	4	↓ MOL2 SDF SMILES Flexibase

62839460

Analogs

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Popular Name: N-(cyclopropylmethyl)-4-methyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-methyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.07	3.44	-39.59	3	3	1	46	197.302	3	↓ MOL2 SDF SMILES Flexibase

62839826

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-methyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.40	4.03	-39.21	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62839827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.40	4.15	-39.33	3	3	1	46	211.329	3	↓ MOL2 SDF SMILES Flexibase

62839863

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N,4-dimethyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	5.18	-40.27	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62839864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N,4-dimethyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.31	5.07	-40.39	2	3	1	37	225.356	3	↓ MOL2 SDF SMILES Flexibase

62839920

Analogs

8727443

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-4-methyl-N-propyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-methyl-N…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.86	6.54	-39.95	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62840563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	6.07	-39.85	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62840564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.24	6.24	-43.59	2	3	1	37	293.353	5	↓ MOL2 SDF SMILES Flexibase

62840697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-methyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	5.58	-36.15	2	4	1	46	269.409	6	↓ MOL2 SDF SMILES Flexibase

62840698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-methyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.30	5.76	-39.89	2	4	1	46	269.409	6	↓ MOL2 SDF SMILES Flexibase

62840721

Analogs

8727443

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N,4-dimethyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-N,4-dimeth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.98	4.99	-40.85	2	3	1	37	211.329	3	↓ MOL2 SDF SMILES Flexibase

62841006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-[(4-methylpiperidine-4-carbonyl)amino]propanoic (2S)-2-cyclopropyl-2-[(4-methylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.23	4.89	-58.11	3	5	0	86	254.33	4	↓ MOL2 SDF SMILES Flexibase

62841007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-[(4-methylpiperidine-4-carbonyl)amino]propanoic (2R)-2-cyclopropyl-2-[(4-methylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.23	4.97	-74.18	3	5	0	86	254.33	4	↓ MOL2 SDF SMILES Flexibase

62841025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[cyclopropylmethyl-(4-methylpiperidine-4-carbonyl)amino]acetic 2-[cyclopropylmethyl-(4-methylpi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.68	6.08	-47	2	5	0	77	254.33	5	↓ MOL2 SDF SMILES Flexibase

62841321

Analogs

42591547

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-N-isopropyl-4-methyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-N-isopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.66	6.32	-38.53	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62841530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-cyclopropyl-2-[(4-methylpiperidine-4-carbonyl)amino]acetic (2S)-2-cyclopropyl-2-[(4-methylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.15	4.28	-61.72	3	5	0	86	240.303	4	↓ MOL2 SDF SMILES Flexibase

62841531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-cyclopropyl-2-[(4-methylpiperidine-4-carbonyl)amino]acetic (2R)-2-cyclopropyl-2-[(4-methylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.15	4.21	-74.56	3	5	0	86	240.303	4	↓ MOL2 SDF SMILES Flexibase

62847547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-4-ethyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-ethyl-pi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.40	3.87	-40.91	3	3	1	46	211.329	4	↓ MOL2 SDF SMILES Flexibase

62847548

Analogs

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Popular Name: N-(cyclopropylmethyl)-4-propyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-propyl-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	4.68	-41.37	3	3	1	46	225.356	5	↓ MOL2 SDF SMILES Flexibase

62848191

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	4.51	-40.69	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62848192

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-4-ethyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.74	4.63	-40.98	3	3	1	46	225.356	4	↓ MOL2 SDF SMILES Flexibase

62848193

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-propyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	5.27	-40.94	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62848194

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-4-propyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-pr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	5.35	-40.88	3	3	1	46	239.383	5	↓ MOL2 SDF SMILES Flexibase

62848263

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-N-methyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	6.03	-39.55	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62848264

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-4-ethyl-N-methyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	6.04	-39.33	2	3	1	37	239.383	4	↓ MOL2 SDF SMILES Flexibase

62848265

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-methyl-4-propyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.79	-39.68	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62848266

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N-methyl-4-propyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.8	-39.48	2	3	1	37	253.41	5	↓ MOL2 SDF SMILES Flexibase

62848363

Analogs

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Popular Name: N-(cyclopropylmethyl)-4-ethyl-N-propyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-ethyl-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.20	6.95	-39.75	2	3	1	37	253.41	6	↓ MOL2 SDF SMILES Flexibase

62848364

Analogs

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Popular Name: N-(cyclopropylmethyl)-N,4-dipropyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-N,4-diprop…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.76	7.6	-39.9	2	3	1	37	267.437	7	↓ MOL2 SDF SMILES Flexibase

62848974

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	6.63	-44.84	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62848975

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	6.84	-44.34	2	3	1	37	307.38	6	↓ MOL2 SDF SMILES Flexibase

62849125

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-4-ethyl-N-(2-methoxyethyl)piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	6.18	-44.45	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

62849126

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-4-ethyl-N-(2-methoxyethyl)piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	6.3	-43.98	2	4	1	46	283.436	7	↓ MOL2 SDF SMILES Flexibase

62849127

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-propyl-piperidine-4-carboxamide N-[(1S)-1-cyclopropylethyl]-N-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	6.48	-42.14	2	4	1	46	297.463	8	↓ MOL2 SDF SMILES Flexibase

62849128

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-N-(2-methoxyethyl)-4-propyl-piperidine-4-carboxamide N-[(1R)-1-cyclopropylethyl]-N-(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.19	6.7	-42.2	2	4	1	46	297.463	8	↓ MOL2 SDF SMILES Flexibase

62849152

Analogs

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Popular Name: N-(cyclopropylmethyl)-4-ethyl-N-methyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-4-ethyl-N-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	5.5	-41.72	2	3	1	37	225.356	4	↓ MOL2 SDF SMILES Flexibase

62849153

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-methyl-4-propyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-N-methyl-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	6.41	-39.35	2	3	1	37	239.383	5	↓ MOL2 SDF SMILES Flexibase

62849542

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-[(4-ethylpiperidine-4-carbonyl)amino]propanoic (2S)-2-cyclopropyl-2-[(4-ethylpi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.90	5.31	-57.14	3	5	0	86	268.357	5	↓ MOL2 SDF SMILES Flexibase

62849543

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-[(4-ethylpiperidine-4-carbonyl)amino]propanoic (2R)-2-cyclopropyl-2-[(4-ethylpi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.90	5.48	-76.93	3	5	0	86	268.357	5	↓ MOL2 SDF SMILES Flexibase

62849544

Analogs

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Popular Name: (2S)-2-cyclopropyl-2-[(4-propylpiperidine-4-carbonyl)amino]propanoic (2S)-2-cyclopropyl-2-[(4-propylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.34	6.08	-57.13	3	5	0	86	282.384	6	↓ MOL2 SDF SMILES Flexibase

62849545

Analogs

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Popular Name: (2R)-2-cyclopropyl-2-[(4-propylpiperidine-4-carbonyl)amino]propanoic (2R)-2-cyclopropyl-2-[(4-propylp…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.34	6.25	-77.27	3	5	0	86	282.384	6	↓ MOL2 SDF SMILES Flexibase

62849576

Analogs

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Popular Name: 2-[cyclopropylmethyl-(4-ethylpiperidine-4-carbonyl)amino]acetic 2-[cyclopropylmethyl-(4-ethylpip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.35	6.5	-45.7	2	5	0	77	268.357	6	↓ MOL2 SDF SMILES Flexibase

62849577

Analogs

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Popular Name: 2-[cyclopropylmethyl-(4-propylpiperidine-4-carbonyl)amino]acetic 2-[cyclopropylmethyl-(4-propylpi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.21	7.16	-63.54	2	5	0	77	282.384	7	↓ MOL2 SDF SMILES Flexibase

62850014

Analogs

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Popular Name: N-(cyclopropylmethyl)-N-isopropyl-4-propyl-piperidine-4-carboxamide N-(cyclopropylmethyl)-N-isopropy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	7.37	-40.35	2	3	1	37	267.437	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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