1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H24ClN3O2 — CID 110387617

IUPAC1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-18-7-4-8-19(15-18)24-11-13-25(14-12-24)22(28)20-9-10-21(27)26(20)16-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2
InChIKeyQYSCYTAZBPWEMF-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.18
Rot. Bonds4

About 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110387617) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110387617
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H24ClN3O2/c23-18-7-4-8-19(15-18)24-11-13-25(14-12-24)22(28)20-9-10-21(27)26(20)16-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2
InChIKeyQYSCYTAZBPWEMF-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

1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
4-benzyl-5-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]morpholin-3-one
CID 56766000
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
1-butyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 24513771
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 110387617) is 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QYSCYTAZBPWEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c23-18-7-4-8-19(15-18)24-11-13-25(14-12-24)22(28)20-9-10-21(27)26(20)16-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2.
What are the key properties of 1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-5-[4-(3-chlorophenyl)piperazine-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-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110387617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).