1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide

C18H25N3O2 — CID 119452421

IUPAC1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCNC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15-8-10-19-12-15)9-5-11-21(13-18)16(22)14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,23)
InChIKeyCVVISSMRQKMDKH-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.41
Rot. Bonds3

About 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide

1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide (PubChem CID 119452421) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
PubChem CID119452421
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide
SMILESCC1(C(=O)NC2CCNC2)CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H25N3O2/c1-18(17(23)20-15-8-10-19-12-15)9-5-11-21(13-18)16(22)14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,23)
InChIKeyCVVISSMRQKMDKH-UHFFFAOYSA-N
XLogP1.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557726
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3-methylpiperidin-1-yl]-phenylmethanone
CID 120819831
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
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
(2S)-2-[(1-benzoyl-3-methylpiperidine-3-carbonyl)amino]hexanoic acid
CID 120614834
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
1-(1-benzoyl-3-methylpiperidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355365
N-[2-(4-aminophenyl)ethyl]-1-benzoyl-3-methylpiperidine-3-carboxamide
CID 119548819
1-benzoyl-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]-3-methylpiperidine-3-carboxamide
CID 75447821
3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 155985492

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide (CID 119452421) is 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide is CC1(C(=O)NC2CCNC2)CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
The InChIKey is CVVISSMRQKMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(17(23)20-15-8-10-19-12-15)9-5-11-21(13-18)16(22)14-6-3-2-4-7-14/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,23).
What are the key properties of 1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide?
1-benzoyl-3-methyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.41, 3 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-pyrrolidin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119452421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).