2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

C15H15ClFNO3 — CID 63379701

IUPAC2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO3/c16-11-5-1-8(7-12(11)17)14-10(15(20)21)4-6-13(19)18(14)9-2-3-9/h1,5,7,9-10,14H,2-4,6H2,(H,20,21)
InChIKeyBJVYRVQTIMBECV-UHFFFAOYSA-N
MW311.74 g/mol
LogP3.01
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid

2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 63379701) has the molecular formula C15H15ClFNO3 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
PubChem CID63379701
Molecular FormulaC15H15ClFNO3
Molecular Weight311.74 g/mol
Exact Mass311.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H15ClFNO3/c16-11-5-1-8(7-12(11)17)14-10(15(20)21)4-6-13(19)18(14)9-2-3-9/h1,5,7,9-10,14H,2-4,6H2,(H,20,21)
InChIKeyBJVYRVQTIMBECV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid (CID 63379701) is 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(C2CC2)C1c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is BJVYRVQTIMBECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3/c16-11-5-1-8(7-12(11)17)14-10(15(20)21)4-6-13(19)18(14)9-2-3-9/h1,5,7,9-10,14H,2-4,6H2,(H,20,21).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid?
2-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 63379701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).