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

C15H17ClFNO3 — CID 75925808

IUPACethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)13-5-3-4-8-18(13)14(19)11-7-6-10(16)9-12(11)17/h6-7,9,13H,2-5,8H2,1H3
InChIKeyHIDUHJZQQNHFMB-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.04
Rot. Bonds3

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

ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (PubChem CID 75925808) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
PubChem CID75925808
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Nameethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H17ClFNO3/c1-2-21-15(20)13-5-3-4-8-18(13)14(19)11-7-6-10(16)9-12(11)17/h6-7,9,13H,2-5,8H2,1H3
InChIKeyHIDUHJZQQNHFMB-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

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Related Compounds

ethyl 1-(4-chloro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 43648357
ethyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80997011
1-(4-chloro-2-fluorobenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041508
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
ethyl (2S)-1-(5-fluoro-2-hydroxybenzoyl)piperidine-2-carboxylate
CID 124574664
methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
ethyl 1-(2,6-dichloropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 106993639
ethyl 1-(5-amino-2-methylbenzoyl)piperidine-2-carboxylate
CID 61290033
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
ethyl 1-(2,5-dichloropyridine-4-carbonyl)pyrrolidine-2-carboxylate
CID 114918292

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate (CID 75925808) is ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
The InChIKey is HIDUHJZQQNHFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-2-21-15(20)13-5-3-4-8-18(13)14(19)11-7-6-10(16)9-12(11)17/h6-7,9,13H,2-5,8H2,1H3.
What are the key properties of ethyl 1-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate?
ethyl 1-(4-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-(4-chloro-2-fluorobenzoyl)piperidine-2-carboxylate is sourced from PubChem (CID 75925808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).