1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H23N3O2 — CID 110412075

IUPAC1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20-12-11-19(24(20)18-9-5-2-6-10-18)21(26)23-15-13-22(14-16-23)17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyHIFJPOHSPDGNEJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.53
Rot. Bonds3

About 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110412075) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110412075
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H23N3O2/c25-20-12-11-19(24(20)18-9-5-2-6-10-18)21(26)23-15-13-22(14-16-23)17-7-3-1-4-8-17/h1-10,19H,11-16H2
InChIKeyHIFJPOHSPDGNEJ-UHFFFAOYSA-N
XLogP2.53
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
1-(4-fluorophenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373917
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110628433
1-(4-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
CID 11716839
CID 11716839
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110412075) is 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HIFJPOHSPDGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-12-11-19(24(20)18-9-5-2-6-10-18)21(26)23-15-13-22(14-16-23)17-7-3-1-4-8-17/h1-10,19H,11-16H2.
What are the key properties of 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110412075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).