azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

C20H25F3N2O2 — CID 55408385

IUPACazepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)17-7-5-15(6-8-17)18(26)25-13-9-16(10-14-25)19(27)24-11-3-1-2-4-12-24/h5-8,16H,1-4,9-14H2
InChIKeyHPFSKFFXXYWBSX-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.96
Rot. Bonds2

About azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone

azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 55408385) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID55408385
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Nameazepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)17-7-5-15(6-8-17)18(26)25-13-9-16(10-14-25)19(27)24-11-3-1-2-4-12-24/h5-8,16H,1-4,9-14H2
InChIKeyHPFSKFFXXYWBSX-UHFFFAOYSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110797847
(4-pyrrolidin-1-ylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 56550837
morpholin-4-yl-[1-[1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 32651661
(4-cyclopentylpiperazin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 55584059
[3-(methylamino)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone;hydrochloride
CID 119491917
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 46688999
1-[4-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 63007152
(4-hydroxypiperidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 139087671
cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55486099
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 136580694
N-propan-2-yl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 17440941

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone (CID 55408385) is azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is HPFSKFFXXYWBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)17-7-5-15(6-8-17)18(26)25-13-9-16(10-14-25)19(27)24-11-3-1-2-4-12-24/h5-8,16H,1-4,9-14H2.
What are the key properties of azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone?
azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 382.43 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55408385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).