5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C17H22ClN3O2 — CID 119578510

IUPAC5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(C)C2c2cccc(Cl)c2)CCN1
InChIInChI=1S/C17H22ClN3O2/c1-11-10-21(7-6-19-11)17(23)14-9-15(22)20(2)16(14)12-4-3-5-13(18)8-12/h3-5,8,11,14,16,19H,6-7,9-10H2,1-2H3
InChIKeyNLVZEMHYZAWQRD-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.68
Rot. Bonds2

About 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one

5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 119578510) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID119578510
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CN(C(=O)C2CC(=O)N(C)C2c2cccc(Cl)c2)CCN1
InChIInChI=1S/C17H22ClN3O2/c1-11-10-21(7-6-19-11)17(23)14-9-15(22)20(2)16(14)12-4-3-5-13(18)8-12/h3-5,8,11,14,16,19H,6-7,9-10H2,1-2H3
InChIKeyNLVZEMHYZAWQRD-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 124684500
4-[4-(1-aminoethyl)piperidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 119518846
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-5-(3-chlorophenyl)-1-methylpyrrolidin-2-one
CID 120749504
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
1-[2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354141
2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 119392607
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119359150
cis-(1S,3R)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676976
cis-(1R,3S)-3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679019
3-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119177320
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 119578510) is 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CC1CN(C(=O)C2CC(=O)N(C)C2c2cccc(Cl)c2)CCN1.
What is the InChIKey of 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NLVZEMHYZAWQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-11-10-21(7-6-19-11)17(23)14-9-15(22)20(2)16(14)12-4-3-5-13(18)8-12/h3-5,8,11,14,16,19H,6-7,9-10H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 335.84 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-methyl-4-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 119578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).