1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

C21H31N3O2 — CID 72916876

IUPAC1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)nc1
InChIInChI=1S/C21H31N3O2/c1-3-16-8-9-19(22-14-16)15-23(2)20(25)18-10-12-24(13-11-18)21(26)17-6-4-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3
InChIKeyMUYMVVODVQNLIF-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.03
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 72916876) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID72916876
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)nc1
InChIInChI=1S/C21H31N3O2/c1-3-16-8-9-19(22-14-16)15-23(2)20(25)18-10-12-24(13-11-18)21(26)17-6-4-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3
InChIKeyMUYMVVODVQNLIF-UHFFFAOYSA-N
XLogP3.03
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(cyclopentanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 87022999
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 134028771
N-benzyl-1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693651
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclopentanecarboxamide
CID 54939453
(3R)-N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95201429
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
N-[(5-ethyl-2-pyridinyl)methyl]-2,6-dihydroxy-N-methylbenzamide
CID 56878008
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (CID 72916876) is 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is CCc1ccc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)nc1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is MUYMVVODVQNLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-16-8-9-19(22-14-16)15-23(2)20(25)18-10-12-24(13-11-18)21(26)17-6-4-5-7-17/h8-9,14,17-18H,3-7,10-13,15H2,1-2H3.
What are the key properties of 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 72916876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).