1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

C21H29N3O2 — CID 2986614

IUPAC1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-15-17(16-24(20)19-9-5-2-6-10-19)21(26)23-13-11-22(12-14-23)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyITIGDTYIIBMCPD-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one

1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 2986614) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID2986614
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-15-17(16-24(20)19-9-5-2-6-10-19)21(26)23-13-11-22(12-14-23)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyITIGDTYIIBMCPD-UHFFFAOYSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
(4S)-1-cyclohexyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 7345959
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
N-[[(3R)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-4-phenylpiperazine-1-carboxamide
CID 126449902
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
1-cyclopentyl-4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46654438

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 2986614) is 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ITIGDTYIIBMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-15-17(16-24(20)19-9-5-2-6-10-19)21(26)23-13-11-22(12-14-23)18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2.
What are the key properties of 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 2986614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).