cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

C20H24F3NO3 — CID 55486099

IUPACcyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)16-8-6-14(7-9-16)18(25)24-12-10-15(11-13-24)19(26)27-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2
InChIKeyWDKKTHVERFTVAG-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.43
Rot. Bonds3

About cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate

cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (PubChem CID 55486099) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namecyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
PubChem CID55486099
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Namecyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
SMILESO=C(OC1CCCCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H24F3NO3/c21-20(22,23)16-8-6-14(7-9-16)18(25)24-12-10-15(11-13-24)19(26)27-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2
InChIKeyWDKKTHVERFTVAG-UHFFFAOYSA-N
XLogP4.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55408385
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
[(2S)-1-amino-1-oxopropan-2-yl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 42543591
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
[4-(4-fluorophenoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110396962

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The IUPAC name of cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate (CID 55486099) is cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is O=C(OC1CCCCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
The InChIKey is WDKKTHVERFTVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3NO3/c21-20(22,23)16-8-6-14(7-9-16)18(25)24-12-10-15(11-13-24)19(26)27-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2.
What are the key properties of cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate?
cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate has a molecular weight of 383.41 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55486099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).