3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one

C16H18F3N3O — CID 134795529

IUPAC3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-4-2-1-3-12(14)11-21-8-5-13(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,13H,5-6,8-9,11H2,(H,20,23)
InChIKeyHIROXKRGXMCOKL-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.03
Rot. Bonds3

About 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one

3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 134795529) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
PubChem CID134795529
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one
SMILESO=c1[nH]ccn1C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)14-4-2-1-3-12(14)11-21-8-5-13(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,13H,5-6,8-9,11H2,(H,20,23)
InChIKeyHIROXKRGXMCOKL-UHFFFAOYSA-N
XLogP3.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Vestipitant
CID 9832383
(2S)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-N-(piperidin-4-yl)-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11675645
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
(2S)-N-(3-aminopropyl)-4-(2,5-difluorophenyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 24901492
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
5-Methyl-1-(1-phenethyl-piperidin-4-yl)-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522613
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(cyclopropylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51002995
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(methylamino)piperidine-1-carboxamide
CID 53320128
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
(2R,4S)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(cyclobutylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 51002996
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3255338

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one (CID 134795529) is 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one is O=c1[nH]ccn1C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is HIROXKRGXMCOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)14-4-2-1-3-12(14)11-21-8-5-13(6-9-21)22-10-7-20-15(22)23/h1-4,7,10,13H,5-6,8-9,11H2,(H,20,23).
What are the key properties of 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one?
3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 325.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 134795529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).