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

C22H25N3O2 — CID 110373773

IUPAC1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-19(10-8-17)25-20(11-12-21(25)26)22(27)24-15-13-23(14-16-24)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyFVWFCXOHJATSCK-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.84
Rot. Bonds3

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

1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110373773) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110373773
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O2/c1-17-7-9-19(10-8-17)25-20(11-12-21(25)26)22(27)24-15-13-23(14-16-24)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3
InChIKeyFVWFCXOHJATSCK-UHFFFAOYSA-N
XLogP2.84
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788
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-methoxyphenyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110374158
5-(4-ethylpiperazine-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110373871
N-benzyl-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373746
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110373773) is 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is Cc1ccc(N2C(=O)CCC2C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is FVWFCXOHJATSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17-7-9-19(10-8-17)25-20(11-12-21(25)26)22(27)24-15-13-23(14-16-24)18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 363.46 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110373773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).