3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one

C18H19F4N3O2 — CID 162568811

IUPAC3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(O)C(F)(F)F)CCC1c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H19F4N3O2/c1-11-9-24(17(27)16(26)18(20,21)22)7-6-14(11)15-8-23-10-25(15)13-4-2-12(19)3-5-13/h2-5,8,10-11,14,16,26H,6-7,9H2,1H3
InChIKeyJQJSPNIIDRJARC-UHFFFAOYSA-N
MW385.36 g/mol
LogP2.89
Rot. Bonds3

About 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one

3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one (PubChem CID 162568811) has the molecular formula C18H19F4N3O2 and a molecular weight of 385.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one
PubChem CID162568811
Molecular FormulaC18H19F4N3O2
Molecular Weight385.36 g/mol
Exact Mass385.14
IUPAC Name3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one
SMILESCC1CN(C(=O)C(O)C(F)(F)F)CCC1c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C18H19F4N3O2/c1-11-9-24(17(27)16(26)18(20,21)22)7-6-14(11)15-8-23-10-25(15)13-4-2-12(19)3-5-13/h2-5,8,10-11,14,16,26H,6-7,9H2,1H3
InChIKeyJQJSPNIIDRJARC-UHFFFAOYSA-N
XLogP2.89
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4S)-4-[2-(4-fluorophenyl)pyrazol-3-yl]-3-methylpiperidine-1-carboxylate
CID 144864282
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159932
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 119635615
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119576959
3,3,3-trifluoro-1-[(3R,4R)-4-[1-(4-fluorophenyl)pyrazol-3-yl]-3-methylpiperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 118166880
(2R)-3,3,3-trifluoro-1-[4-[1-(4-fluorophenyl)pyrazol-3-yl]-3-methylpiperidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 118167131
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone;dihydrochloride
CID 119635614
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 145388982

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one (CID 162568811) is 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one is CC1CN(C(=O)C(O)C(F)(F)F)CCC1c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is JQJSPNIIDRJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3O2/c1-11-9-24(17(27)16(26)18(20,21)22)7-6-14(11)15-8-23-10-25(15)13-4-2-12(19)3-5-13/h2-5,8,10-11,14,16,26H,6-7,9H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one?
3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 385.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-[3-(4-fluorophenyl)imidazol-4-yl]-3-methylpiperidin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 162568811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).