2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

C15H15ClFNO3 — CID 63379163

IUPAC2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO3/c16-10-2-1-3-11(17)13(10)14-9(15(20)21)6-7-12(19)18(14)8-4-5-8/h1-3,8-9,14H,4-7H2,(H,20,21)
InChIKeyYLYYXQZPCAKSCZ-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 63379163) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
PubChem CID63379163
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFNO3/c16-10-2-1-3-11(17)13(10)14-9(15(20)21)6-7-12(19)18(14)8-4-5-8/h1-3,8-9,14H,4-7H2,(H,20,21)
InChIKeyYLYYXQZPCAKSCZ-UHFFFAOYSA-N
XLogP3.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid 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 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (CID 63379163) is 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CC2)C1c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is YLYYXQZPCAKSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c16-10-2-1-3-11(17)13(10)14-9(15(20)21)6-7-12(19)18(14)8-4-5-8/h1-3,8-9,14H,4-7H2,(H,20,21).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 311.74 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63379163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).