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

C23H27N3O2 — CID 20854677

IUPAC1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)c1C
InChIInChI=1S/C23H27N3O2/c1-17-6-3-9-21(18(17)2)24-12-14-25(15-13-24)23(28)19-7-4-8-20(16-19)26-11-5-10-22(26)27/h3-4,6-9,16H,5,10-15H2,1-2H3
InChIKeyWNQCXXKOTZBYGA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.39
Rot. Bonds3

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

1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 20854677) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID20854677
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)c1C
InChIInChI=1S/C23H27N3O2/c1-17-6-3-9-21(18(17)2)24-12-14-25(15-13-24)23(28)19-7-4-8-20(16-19)26-11-5-10-22(26)27/h3-4,6-9,16H,5,10-15H2,1-2H3
InChIKeyWNQCXXKOTZBYGA-UHFFFAOYSA-N
XLogP3.39
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 20854677) is 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is Cc1cccc(N2CCN(C(=O)c3cccc(N4CCCC4=O)c3)CC2)c1C.
What is the InChIKey of 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is WNQCXXKOTZBYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-6-3-9-21(18(17)2)24-12-14-25(15-13-24)23(28)19-7-4-8-20(16-19)26-11-5-10-22(26)27/h3-4,6-9,16H,5,10-15H2,1-2H3.
What are the key properties of 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 20854677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).