1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119453805

IUPAC1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c21-16(19-15-8-9-18-11-15)14-7-4-10-20(12-14)17(22)13-5-2-1-3-6-13;/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21);1H
InChIKeyHUSBJABZMLUBTB-UHFFFAOYSA-N
MW337.85 g/mol
LogP1.44
Rot. Bonds3

About 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119453805) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119453805
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C17H23N3O2.ClH/c21-16(19-15-8-9-18-11-15)14-7-4-10-20(12-14)17(22)13-5-2-1-3-6-13;/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21);1H
InChIKeyHUSBJABZMLUBTB-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119450711
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
1-benzoyl-N-(2-methylpiperidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 120577067
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3R)-N-(1-benzoylpiperidin-4-yl)-1-propanoylpiperidine-3-carboxamide
CID 52523476
(2S)-2-[(1-benzoylpiperidine-3-carbonyl)amino]propanoic acid
CID 119238223
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119453805) is 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is HUSBJABZMLUBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c21-16(19-15-8-9-18-11-15)14-7-4-10-20(12-14)17(22)13-5-2-1-3-6-13;/h1-3,5-6,14-15,18H,4,7-12H2,(H,19,21);1H.
What are the key properties of 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119453805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).