1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

C22H31N3O2 — CID 97195530

IUPAC1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc([C@@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)C2CC2)n1
InChIInChI=1S/C22H31N3O2/c1-15-5-4-8-19(23-15)20(16-9-10-16)24-21(26)17-11-13-25(14-12-17)22(27)18-6-2-3-7-18/h4-5,8,16-18,20H,2-3,6-7,9-14H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyMSBYDXAWBYTQIG-FQEVSTJZSA-N
MW369.51 g/mol
LogP3.39
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (PubChem CID 97195530) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
PubChem CID97195530
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
SMILESCc1cccc([C@@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)C2CC2)n1
InChIInChI=1S/C22H31N3O2/c1-15-5-4-8-19(23-15)20(16-9-10-16)24-21(26)17-11-13-25(14-12-17)22(27)18-6-2-3-7-18/h4-5,8,16-18,20H,2-3,6-7,9-14H2,1H3,(H,24,26)/t20-/m0/s1
InChIKeyMSBYDXAWBYTQIG-FQEVSTJZSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 118778490
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 131907551
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
1-[(R)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-3-(2,3-dimethylphenyl)urea
CID 97454673
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide;formic acid
CID 154906866
1-(cyclopentanecarbonyl)-N-[(1R)-1-(4-hydroxyphenyl)propyl]piperidine-4-carboxamide
CID 97189714
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-(difluoromethyl)-5-methylpyrrole-2-carboxamide
CID 126423675
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 118766529
1-(cyclopentanecarbonyl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 72884711

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide (CID 97195530) is 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is Cc1cccc([C@@H](NC(=O)C2CCN(C(=O)C3CCCC3)CC2)C2CC2)n1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
The InChIKey is MSBYDXAWBYTQIG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15-5-4-8-19(23-15)20(16-9-10-16)24-21(26)17-11-13-25(14-12-17)22(27)18-6-2-3-7-18/h4-5,8,16-18,20H,2-3,6-7,9-14H2,1H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 97195530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).