1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

C17H23Cl2N3O2 — CID 119450711

IUPAC1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-12(4-6-14)17(23)21-9-1-2-13(11-21)16(22)20-15-7-8-19-10-15;/h3-6,13,15,19H,1-2,7-11H2,(H,20,22);1H
InChIKeyLRWSLQNGNGRCQI-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.09
Rot. Bonds3

About 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride

1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (PubChem CID 119450711) has the molecular formula C17H23Cl2N3O2 and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
PubChem CID119450711
Molecular FormulaC17H23Cl2N3O2
Molecular Weight372.30 g/mol
Exact Mass371.12
IUPAC Name1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-12(4-6-14)17(23)21-9-1-2-13(11-21)16(22)20-15-7-8-19-10-15;/h3-6,13,15,19H,1-2,7-11H2,(H,20,22);1H
InChIKeyLRWSLQNGNGRCQI-UHFFFAOYSA-N
XLogP2.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119453805
1-(4-chlorobenzoyl)-N-(3-hydroxycyclobutyl)piperidine-3-carboxamide
CID 154802579
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
1-(4-chlorobenzoyl)-N-ethylpiperidine-3-carboxamide
CID 47100006
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[(2R)-2-acetamidocyclohexyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 46170994
1-N-cyclopentyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119449955
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120658105
1-(4-chlorobenzoyl)-N-[(1R,2R)-2-ethylcyclopropyl]piperidine-3-carboxamide
CID 136581604
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(cyclopropanecarbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119453411

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride (CID 119450711) is 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
The InChIKey is LRWSLQNGNGRCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.ClH/c18-14-5-3-12(4-6-14)17(23)21-9-1-2-13(11-21)16(22)20-15-7-8-19-10-15;/h3-6,13,15,19H,1-2,7-11H2,(H,20,22);1H.
What are the key properties of 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride?
1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).