1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide

C20H23N3O2 — CID 136575876

IUPAC1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-15(17-11-5-7-13-21-17)22-19(24)18-12-6-8-14-23(18)20(25)16-9-3-2-4-10-16/h2-5,7,9-11,13,15,18H,6,8,12,14H2,1H3,(H,22,24)
InChIKeyQNKZLTBAZHNGPO-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.95
Rot. Bonds4

About 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide

1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide (PubChem CID 136575876) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
PubChem CID136575876
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1C(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C20H23N3O2/c1-15(17-11-5-7-13-21-17)22-19(24)18-12-6-8-14-23(18)20(25)16-9-3-2-4-10-16/h2-5,7,9-11,13,15,18H,6,8,12,14H2,1H3,(H,22,24)
InChIKeyQNKZLTBAZHNGPO-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 101140521
1-N-[cyclopentyl(pyridin-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 84589898
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
1-benzoyl-N-(3-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 111461020
benzyl (2S)-2-[[(2S)-1-benzoylpyrrolidine-2-carbonyl]amino]-3-methylbutanoate
CID 150631043
(2S)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 103813258
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide (CID 136575876) is 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1C(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
The InChIKey is QNKZLTBAZHNGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(17-11-5-7-13-21-17)22-19(24)18-12-6-8-14-23(18)20(25)16-9-3-2-4-10-16/h2-5,7,9-11,13,15,18H,6,8,12,14H2,1H3,(H,22,24).
What are the key properties of 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide?
1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide is sourced from PubChem (CID 136575876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).