N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C22H27N3O2S — CID 39613287

IUPACN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H27N3O2S/c26-21(24-20(16-5-1-2-6-16)19-8-4-14-28-19)17-9-12-25(13-10-17)22(27)18-7-3-11-23-15-18/h3-4,7-8,11,14-17,20H,1-2,5-6,9-10,12-13H2,(H,24,26)/t20-/m0/s1
InChIKeyOJGMNEURKMWFOP-FQEVSTJZSA-N
MW397.54 g/mol
LogP4.04
Rot. Bonds5

About N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 39613287) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID39613287
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H27N3O2S/c26-21(24-20(16-5-1-2-6-16)19-8-4-14-28-19)17-9-12-25(13-10-17)22(27)18-7-3-11-23-15-18/h3-4,7-8,11,14-17,20H,1-2,5-6,9-10,12-13H2,(H,24,26)/t20-/m0/s1
InChIKeyOJGMNEURKMWFOP-FQEVSTJZSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46452333
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
1-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]piperidine-1,4-dicarboxamide
CID 94175624
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55930277
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51951497
pyridin-3-yl-[4-(thiophen-2-ylmethyl)piperidin-1-yl]methanone
CID 84512200
4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-6-methylpyridine-3-carboxamide
CID 39029656

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 39613287) is N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is O=C(N[C@H](c1cccs1)C1CCCC1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is OJGMNEURKMWFOP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2S/c26-21(24-20(16-5-1-2-6-16)19-8-4-14-28-19)17-9-12-25(13-10-17)22(27)18-7-3-11-23-15-18/h3-4,7-8,11,14-17,20H,1-2,5-6,9-10,12-13H2,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 397.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 39613287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).