3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one

C15H19ClN2O — CID 146091201

IUPAC3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-3-11(9-13)12-6-8-18(10-12)14-5-2-7-17-15(14)19/h1,3-4,9,12,14H,2,5-8,10H2,(H,17,19)
InChIKeyAFMOXFNJMPOODG-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.41
Rot. Bonds2

About 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one

3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one (PubChem CID 146091201) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one
PubChem CID146091201
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H19ClN2O/c16-13-4-1-3-11(9-13)12-6-8-18(10-12)14-5-2-7-17-15(14)19/h1,3-4,9,12,14H,2,5-8,10H2,(H,17,19)
InChIKeyAFMOXFNJMPOODG-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one?
The IUPAC name of 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one (CID 146091201) is 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one is O=C1NCCCC1N1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one?
The InChIKey is AFMOXFNJMPOODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c16-13-4-1-3-11(9-13)12-6-8-18(10-12)14-5-2-7-17-15(14)19/h1,3-4,9,12,14H,2,5-8,10H2,(H,17,19).
What are the key properties of 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one?
3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one has a molecular weight of 278.78 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]piperidin-2-one is sourced from PubChem (CID 146091201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).