1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

C24H25ClN2O3 — CID 24794074

IUPAC1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C24H25ClN2O3/c1-16-13-19(25)9-10-21(16)23(29)18-6-3-11-26(15-18)24(30)17-5-2-7-20(14-17)27-12-4-8-22(27)28/h2,5,7,9-10,13-14,18H,3-4,6,8,11-12,15H2,1H3
InChIKeyJYUOKRZCDSAIGN-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.51
Rot. Bonds4

About 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 24794074) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID24794074
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESCc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1
InChIInChI=1S/C24H25ClN2O3/c1-16-13-19(25)9-10-21(16)23(29)18-6-3-11-26(15-18)24(30)17-5-2-7-20(14-17)27-12-4-8-22(27)28/h2,5,7,9-10,13-14,18H,3-4,6,8,11-12,15H2,1H3
InChIKeyJYUOKRZCDSAIGN-UHFFFAOYSA-N
XLogP4.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 24794074) is 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is Cc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2cccc(N3CCCC3=O)c2)C1.
What is the InChIKey of 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is JYUOKRZCDSAIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-16-13-19(25)9-10-21(16)23(29)18-6-3-11-26(15-18)24(30)17-5-2-7-20(14-17)27-12-4-8-22(27)28/h2,5,7,9-10,13-14,18H,3-4,6,8,11-12,15H2,1H3.
What are the key properties of 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 424.93 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chloro-2-methylbenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24794074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).