[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone

C20H27F3N2O — CID 119561328

IUPAC[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
SMILESCNC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1
InChIInChI=1S/C20H27F3N2O/c1-24-17-8-12-25(13-9-17)18(26)19(10-3-2-4-11-19)15-6-5-7-16(14-15)20(21,22)23/h5-7,14,17,24H,2-4,8-13H2,1H3
InChIKeyBEDOHWZIGJCWJT-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.12
Rot. Bonds3

About [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone

[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone (PubChem CID 119561328) has the molecular formula C20H27F3N2O and a molecular weight of 368.44 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
PubChem CID119561328
Molecular FormulaC20H27F3N2O
Molecular Weight368.44 g/mol
Exact Mass368.21
IUPAC Name[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
SMILESCNC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1
InChIInChI=1S/C20H27F3N2O/c1-24-17-8-12-25(13-9-17)18(26)19(10-3-2-4-11-19)15-6-5-7-16(14-15)20(21,22)23/h5-7,14,17,24H,2-4,8-13H2,1H3
InChIKeyBEDOHWZIGJCWJT-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
[3-(methylaminomethyl)pyrrolidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119542396
N-propyl-1-[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]piperidine-3-carboxamide
CID 47088076
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
(3-hydroxypiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110928443
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
[3-(1-aminoethyl)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119596794
6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 127906304
(8aS)-7-[1-[3-(trifluoromethyl)phenyl]cyclohexanecarbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99814639
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119664663
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone (CID 119561328) is [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone is CNC1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCCCC2)CC1.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
The InChIKey is BEDOHWZIGJCWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O/c1-24-17-8-12-25(13-9-17)18(26)19(10-3-2-4-11-19)15-6-5-7-16(14-15)20(21,22)23/h5-7,14,17,24H,2-4,8-13H2,1H3.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone?
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone has a molecular weight of 368.44 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone is sourced from PubChem (CID 119561328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).