1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C16H21Cl2N3O2 — CID 119424407

IUPAC1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-13-5-1-2-6-14(13)20-10-11(8-15(20)21)16(22)19-12-4-3-7-18-9-12;/h1-2,5-6,11-12,18H,3-4,7-10H2,(H,19,22);1H
InChIKeySDOODKYPJRIPAK-UHFFFAOYSA-N
MW358.27 g/mol
LogP1.98
Rot. Bonds3

About 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119424407) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119424407
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)C1CC(=O)N(c2ccccc2Cl)C1
InChIInChI=1S/C16H20ClN3O2.ClH/c17-13-5-1-2-6-14(13)20-10-11(8-15(20)21)16(22)19-12-4-3-7-18-9-12;/h1-2,5-6,11-12,18H,3-4,7-10H2,(H,19,22);1H
InChIKeySDOODKYPJRIPAK-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119425027
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 119474578
1-(2-methoxyphenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119453996
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
1-(2-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51240390
1-(3-bromophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119428264
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
(3R)-N-cyclopropyl-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40978163
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119429326
(3S)-N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135311

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119424407) is 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1CCCNC1)C1CC(=O)N(c2ccccc2Cl)C1.
What is the InChIKey of 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SDOODKYPJRIPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c17-13-5-1-2-6-14(13)20-10-11(8-15(20)21)16(22)19-12-4-3-7-18-9-12;/h1-2,5-6,11-12,18H,3-4,7-10H2,(H,19,22);1H.
What are the key properties of 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119424407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).