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

C15H18FNO3 — CID 3528666

IUPACethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-5-9-17(10-11)14(18)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeySNEDNUKORYUCCX-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.24
Rot. Bonds3

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

ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 3528666) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID3528666
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-5-9-17(10-11)14(18)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeySNEDNUKORYUCCX-UHFFFAOYSA-N
XLogP2.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate (CID 3528666) is ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is SNEDNUKORYUCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-5-9-17(10-11)14(18)12-7-3-4-8-13(12)16/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate?
ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 3528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).