ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

C15H17ClFNO3 — CID 80997011

IUPACethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)12-8-3-4-9-18(12)14(19)10-6-5-7-11(16)13(10)17/h5-7,12H,2-4,8-9H2,1H3
InChIKeyLHZUENWRVOVLOH-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.04
Rot. Bonds3

About ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate

ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (PubChem CID 80997011) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
PubChem CID80997011
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Nameethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccc(Cl)c1F
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)12-8-3-4-9-18(12)14(19)10-6-5-7-11(16)13(10)17/h5-7,12H,2-4,8-9H2,1H3
InChIKeyLHZUENWRVOVLOH-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
butyl 1-(3-chloro-2-fluorobenzoyl)pyrrolidine-2-carboxylate
CID 91736136
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 75925808
ethyl 1-(2-fluoro-3-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 126624209
ethyl (2S)-1-(3-chloro-2-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 102353546
ethyl (3S)-1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylate
CID 81338377
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (CID 80997011) is ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cccc(Cl)c1F.
What is the InChIKey of ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is LHZUENWRVOVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-2-21-15(20)12-8-3-4-9-18(12)14(19)10-6-5-7-11(16)13(10)17/h5-7,12H,2-4,8-9H2,1H3.
What are the key properties of ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate has a molecular weight of 313.76 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 80997011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).