1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H12F3N3O — CID 126821129

IUPAC1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncc[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyVCLVRARIDAKKCS-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.82
Rot. Bonds1

About 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone

1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 126821129) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID126821129
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncc[nH]1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyVCLVRARIDAKKCS-UHFFFAOYSA-N
XLogP1.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830
pyridin-4-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone chloride
CID 21235844
(5-methyl-1H-pyrazol-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129367196
[5-(methylamino)-2-pyridinyl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 104641627
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 60655820
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
(3S)-N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 94172258
(3-hydrazinyl-4-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 105072274
(4-bromo-1-methylpyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 171384981
(4-amino-1-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 65356023

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 126821129) is 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ncc[nH]1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VCLVRARIDAKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)7-2-1-5-16(6-7)9(17)8-14-3-4-15-8/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone?
1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 247.22 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126821129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).