1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

C14H15ClFNO3 — CID 154743444

IUPAC1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H15ClFNO3/c15-12-7-11(16)4-3-9(12)6-13(18)17-5-1-2-10(8-17)14(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20)
InChIKeyCBSAPLQROUZMPV-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 154743444) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID154743444
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Name1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2Cl)C1
InChIInChI=1S/C14H15ClFNO3/c15-12-7-11(16)4-3-9(12)6-13(18)17-5-1-2-10(8-17)14(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20)
InChIKeyCBSAPLQROUZMPV-UHFFFAOYSA-N
XLogP2.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (CID 154743444) is 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cc2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is CBSAPLQROUZMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c15-12-7-11(16)4-3-9(12)6-13(18)17-5-1-2-10(8-17)14(19)20/h3-4,7,10H,1-2,5-6,8H2,(H,19,20).
What are the key properties of 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 299.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 154743444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).