1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide

C17H22ClN3O2 — CID 120576539

IUPAC1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-11-15(3-2-8-19-11)20-17(23)12-9-16(22)21(10-12)14-6-4-13(18)5-7-14/h4-7,11-12,15,19H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyRFELPDQNFOPIDV-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.95
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 120576539) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID120576539
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCC1NCCCC1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H22ClN3O2/c1-11-15(3-2-8-19-11)20-17(23)12-9-16(22)21(10-12)14-6-4-13(18)5-7-14/h4-7,11-12,15,19H,2-3,8-10H2,1H3,(H,20,23)
InChIKeyRFELPDQNFOPIDV-UHFFFAOYSA-N
XLogP1.95
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577163
1-(2,3-dimethylphenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120573725
N-(2-methylpiperidin-3-yl)-5-oxo-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120577714
1-(4-chlorophenyl)-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119454053
1-(4-methylcyclohexyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120577525
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
1-[(4-methylphenyl)methyl]-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120574389
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240
1-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 120554615
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 120576539) is 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide is CC1NCCCC1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RFELPDQNFOPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11-15(3-2-8-19-11)20-17(23)12-9-16(22)21(10-12)14-6-4-13(18)5-7-14/h4-7,11-12,15,19H,2-3,8-10H2,1H3,(H,20,23).
What are the key properties of 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120576539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).