ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate

C15H17ClFNO3 — CID 2813096

IUPACethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3
InChIKeyCMJKJXWYDONROE-UHFFFAOYSA-N
MW313.76 g/mol
LogP2.89
Rot. Bonds3

About ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate

ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 2813096) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID2813096
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Nameethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3
InChIKeyCMJKJXWYDONROE-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate 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 ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate (CID 2813096) is ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2c(F)cccc2Cl)CC1.
What is the InChIKey of ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is CMJKJXWYDONROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)13-11(16)4-3-5-12(13)17/h3-5,10H,2,6-9H2,1H3.
What are the key properties of ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 313.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-chloro-6-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 2813096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).