1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide

C21H31N3O2 — CID 119557726

IUPAC1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCC2CCCNC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c1-21(20(26)23-13-10-17-7-5-12-22-15-17)11-6-14-24(16-21)19(25)18-8-3-2-4-9-18/h2-4,8-9,17,22H,5-7,10-16H2,1H3,(H,23,26)
InChIKeyNAEJWLLOLZJGEW-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.43
Rot. Bonds5

About 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide

1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 119557726) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
PubChem CID119557726
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
SMILESCC1(C(=O)NCCC2CCCNC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C21H31N3O2/c1-21(20(26)23-13-10-17-7-5-12-22-15-17)11-6-14-24(16-21)19(25)18-8-3-2-4-9-18/h2-4,8-9,17,22H,5-7,10-16H2,1H3,(H,23,26)
InChIKeyNAEJWLLOLZJGEW-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-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

1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119452421
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide
CID 119548819
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119548818
1-benzoyl-N-[(1-hydroxycyclobutyl)methyl]-3-methylpiperidine-3-carboxamide
CID 111539458
N-(2-amino-2-methylpropyl)-1-benzoyl-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119628747
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
1-benzyl-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119558260
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
[3-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-phenylmethanone;hydrochloride
CID 119397317
(2S)-2-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614834

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide (CID 119557726) is 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide is CC1(C(=O)NCCC2CCCNC2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is NAEJWLLOLZJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-21(20(26)23-13-10-17-7-5-12-22-15-17)11-6-14-24(16-21)19(25)18-8-3-2-4-9-18/h2-4,8-9,17,22H,5-7,10-16H2,1H3,(H,23,26).
What are the key properties of 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide?
1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119557726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).