ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate

C15H18FNO3 — CID 740877

IUPACethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-8-17(9-7-11)14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,2,6-9H2,1H3
InChIKeyNNBJXMMSNYUVRG-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.24
Rot. Bonds3

About ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate

ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 740877) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID740877
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nameethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-8-17(9-7-11)14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,2,6-9H2,1H3
InChIKeyNNBJXMMSNYUVRG-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-(3-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate (CID 740877) is ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is NNBJXMMSNYUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-20-15(19)11-6-8-17(9-7-11)14(18)12-4-3-5-13(16)10-12/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of ethyl 1-(3-fluorobenzoyl)piperidine-4-carboxylate?
ethyl 1-(3-fluorobenzoyl)piperidine-4-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-(3-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 740877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).