1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

C22H31N3O2 — CID 6463480

IUPAC1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)c1C
InChIInChI=1S/C22H31N3O2/c1-16-6-5-9-20(17(16)2)23-10-12-24(13-11-23)22(27)18-14-21(26)25(15-18)19-7-3-4-8-19/h5-6,9,18-19H,3-4,7-8,10-15H2,1-2H3
InChIKeyZABLFRDYLIVXID-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.74
Rot. Bonds3

About 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 6463480) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID6463480
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)c1C
InChIInChI=1S/C22H31N3O2/c1-16-6-5-9-20(17(16)2)23-10-12-24(13-11-23)22(27)18-14-21(26)25(15-18)19-7-3-4-8-19/h5-6,9,18-19H,3-4,7-8,10-15H2,1-2H3
InChIKeyZABLFRDYLIVXID-UHFFFAOYSA-N
XLogP2.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 6463480) is 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1cccc(N2CCN(C(=O)C3CC(=O)N(C4CCCC4)C3)CC2)c1C.
What is the InChIKey of 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ZABLFRDYLIVXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-16-6-5-9-20(17(16)2)23-10-12-24(13-11-23)22(27)18-14-21(26)25(15-18)19-7-3-4-8-19/h5-6,9,18-19H,3-4,7-8,10-15H2,1-2H3.
What are the key properties of 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 6463480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).