4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide

C21H25N3O2 — CID 109047547

IUPAC4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-19-8-4-6-14-24(19)21(26)17-11-9-16(10-12-17)20(25)23-15-18-7-3-5-13-22-18/h3,5,7,9-13,19H,2,4,6,8,14-15H2,1H3,(H,23,25)
InChIKeyPJXDCBHEVBCQMF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.42
Rot. Bonds5

About 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide

4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 109047547) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
PubChem CID109047547
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC1CCCCN1C(=O)c1ccc(C(=O)NCc2ccccn2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-19-8-4-6-14-24(19)21(26)17-11-9-16(10-12-17)20(25)23-15-18-7-3-5-13-22-18/h3,5,7,9-13,19H,2,4,6,8,14-15H2,1H3,(H,23,25)
InChIKeyPJXDCBHEVBCQMF-UHFFFAOYSA-N
XLogP3.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide 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

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(4-tert-butylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 121450378
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide (CID 109047547) is 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide is CCC1CCCCN1C(=O)c1ccc(C(=O)NCc2ccccn2)cc1.
What is the InChIKey of 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is PJXDCBHEVBCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-19-8-4-6-14-24(19)21(26)17-11-9-16(10-12-17)20(25)23-15-18-7-3-5-13-22-18/h3,5,7,9-13,19H,2,4,6,8,14-15H2,1H3,(H,23,25).
What are the key properties of 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide?
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 109047547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).