4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one

C22H24ClN3O2 — CID 17082154

IUPAC4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-6-8-20(9-7-19)26-16-18(14-21(26)27)22(28)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyXAQFRWMQFBRFBZ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.04
Rot. Bonds4

About 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one

4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one (PubChem CID 17082154) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
PubChem CID17082154
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-19-6-8-20(9-7-19)26-16-18(14-21(26)27)22(28)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,18H,10-16H2
InChIKeyXAQFRWMQFBRFBZ-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
(4S)-1-(4-chlorophenyl)-4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7337206
4-(4-benzylpiperazine-1-carbonyl)-1-(2,4-difluorophenyl)pyrrolidin-2-one
CID 113190652
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673
4-(4-benzyl-1,4-diazepane-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one
CID 43057140
4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110629361
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
1-(2-chlorophenyl)-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 134045069
(4S)-1-(4-chlorophenyl)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 7337143

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one (CID 17082154) is 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one?
The InChIKey is XAQFRWMQFBRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-19-6-8-20(9-7-19)26-16-18(14-21(26)27)22(28)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,18H,10-16H2.
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one?
4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one has a molecular weight of 397.91 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 17082154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).