1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C22H24ClN3O2 — CID 139023933

IUPAC1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-9-5-4-6-17(19)16-26-20(10-11-21(26)27)22(28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-9,20H,10-16H2
InChIKeyNWUKAVSEYMZXQO-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.18
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 139023933) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID139023933
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-9-5-4-6-17(19)16-26-20(10-11-21(26)27)22(28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-9,20H,10-16H2
InChIKeyNWUKAVSEYMZXQO-UHFFFAOYSA-N
XLogP3.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
tert-butyl N-[[1-[(2S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675576
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
(4S)-1-[(2-chlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 97311082

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 139023933) is 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NWUKAVSEYMZXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-9-5-4-6-17(19)16-26-20(10-11-21(26)27)22(28)25-14-12-24(13-15-25)18-7-2-1-3-8-18/h1-9,20H,10-16H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 397.91 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 139023933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).