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

C15H18FNO3 — CID 23326081

IUPACethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)17-9-7-12(8-10-17)14(18)11-3-5-13(16)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyRHAKGSBZMDVCCD-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.88
Rot. Bonds3

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

ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate (PubChem CID 23326081) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
PubChem CID23326081
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)17-9-7-12(8-10-17)14(18)11-3-5-13(16)6-4-11/h3-6,12H,2,7-10H2,1H3
InChIKeyRHAKGSBZMDVCCD-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate (CID 23326081) is ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
The InChIKey is RHAKGSBZMDVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-20-15(19)17-9-7-12(8-10-17)14(18)11-3-5-13(16)6-4-11/h3-6,12H,2,7-10H2,1H3.
What are the key properties of ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate?
ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate has a molecular weight of 279.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate is sourced from PubChem (CID 23326081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).