[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone

C16H22F3N3O — CID 95341230

IUPAC[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-6-2-1-5-13(14)15(23)21-8-3-4-12(10-21)22-9-7-20-11-22/h7,9,11-14H,1-6,8,10H2/t12-,13-,14+/m1/s1
InChIKeyAPGYOTWOKMIETA-MCIONIFRSA-N
MW329.37 g/mol
LogP3.42
Rot. Bonds2

About [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone

[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 95341230) has the molecular formula C16H22F3N3O and a molecular weight of 329.37 g/mol. Its IUPAC name is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID95341230
Molecular FormulaC16H22F3N3O
Molecular Weight329.37 g/mol
Exact Mass329.17
IUPAC Name[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C16H22F3N3O/c17-16(18,19)14-6-2-1-5-13(14)15(23)21-8-3-4-12(10-21)22-9-7-20-11-22/h7,9,11-14H,1-6,8,10H2/t12-,13-,14+/m1/s1
InChIKeyAPGYOTWOKMIETA-MCIONIFRSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone with MolForge

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Related Compounds

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(2S)-1-methylsulfonylpiperidin-2-yl]methanone
CID 100856759
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 95340983
1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 95313726
azepan-1-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 115583695
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103857587
[1-(4-fluorophenyl)cyclobutyl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95339238
N-[(1S)-1-cyclopentyl-2-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-2-oxoethyl]acetamide
CID 95313828
[(2R)-2,3-dihydro-1-benzothiophen-2-yl]-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95569108
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341550
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone (CID 95341230) is [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone is O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is APGYOTWOKMIETA-MCIONIFRSA-N. The full InChI is InChI=1S/C16H22F3N3O/c17-16(18,19)14-6-2-1-5-13(14)15(23)21-8-3-4-12(10-21)22-9-7-20-11-22/h7,9,11-14H,1-6,8,10H2/t12-,13-,14+/m1/s1.
What are the key properties of [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone?
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 329.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-imidazol-1-ylpiperidin-1-yl]-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 95341230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).