4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

C24H29N3O2 — CID 113186685

IUPAC4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-18(2)19-8-10-22(11-9-19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3
InChIKeyJZOIMYZTQCIEST-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.51
Rot. Bonds4

About 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one

4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (PubChem CID 113186685) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
PubChem CID113186685
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
SMILESCC(C)c1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H29N3O2/c1-18(2)19-8-10-22(11-9-19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3
InChIKeyJZOIMYZTQCIEST-UHFFFAOYSA-N
XLogP3.51
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-4-(1,4-oxazepane-4-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 97149949
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 42881988
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
(4S)-1-(4-methylphenyl)-4-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9254747
1-(2-fluorophenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51175375
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one (CID 113186685) is 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is CC(C)c1ccc(N2CC(C(=O)N3CCN(c4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
The InChIKey is JZOIMYZTQCIEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)19-8-10-22(11-9-19)27-17-20(16-23(27)28)24(29)26-14-12-25(13-15-26)21-6-4-3-5-7-21/h3-11,18,20H,12-17H2,1-2H3.
What are the key properties of 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one?
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 113186685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).