1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone

C14H22FNO2 — CID 71090478

IUPAC1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CCC(F)CC2)CC1
InChIInChI=1S/C14H22FNO2/c1-10(17)11-6-8-16(9-7-11)14(18)12-2-4-13(15)5-3-12/h11-13H,2-9H2,1H3
InChIKeyLFRAKRPUSRZDQL-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.34
Rot. Bonds2

About 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone

1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone (PubChem CID 71090478) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
PubChem CID71090478
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(C(=O)C2CCC(F)CC2)CC1
InChIInChI=1S/C14H22FNO2/c1-10(17)11-6-8-16(9-7-11)14(18)12-2-4-13(15)5-3-12/h11-13H,2-9H2,1H3
InChIKeyLFRAKRPUSRZDQL-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone (CID 71090478) is 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(C(=O)C2CCC(F)CC2)CC1.
What is the InChIKey of 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
The InChIKey is LFRAKRPUSRZDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-10(17)11-6-8-16(9-7-11)14(18)12-2-4-13(15)5-3-12/h11-13H,2-9H2,1H3.
What are the key properties of 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone?
1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone has a molecular weight of 255.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 71090478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).