[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate

C19H24FN3O2 — CID 174516086

IUPAC[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC(c2cn(-c3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)18(24)25-23-9-5-6-14(11-23)17-12-22(13-21-17)16-8-4-7-15(20)10-16/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3
InChIKeyUOCMMZUJMKYLNA-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.70
Rot. Bonds3

About [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate

[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174516086) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174516086
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCCC(c2cn(-c3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H24FN3O2/c1-19(2,3)18(24)25-23-9-5-6-14(11-23)17-12-22(13-21-17)16-8-4-7-15(20)10-16/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3
InChIKeyUOCMMZUJMKYLNA-UHFFFAOYSA-N
XLogP3.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[3-(1-phenylimidazol-4-yl)piperidin-1-yl]methanone
CID 174501896
[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 175268505
1-[3-[1-(3-fluorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 174606600
3-[4-(1-acetylpiperidin-4-yl)imidazol-1-yl]benzoic acid
CID 174718580
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
(4-fluorophenyl)-[(3S)-3-(1-pyridin-4-ylimidazol-4-yl)piperidin-1-yl]methanone
CID 175246374
5-cyclopentyl-1-(3-fluorophenyl)pyrazole-3-carboxylic acid
CID 82093610
3-[2-[1-(3-fluorophenyl)imidazol-4-yl]cyclopropyl]propan-1-amine
CID 122552999
[(3R)-3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174815191
[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174667909
tert-butyl 4-(3-fluorophenyl)-3-methylpiperazine-1-carboxylate
CID 166723804
tert-butyl 3-[[4-(carbamoylamino)-1-(3-fluorophenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 67030764

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate (CID 174516086) is [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCCC(c2cn(-c3cccc(F)c3)cn2)C1.
What is the InChIKey of [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is UOCMMZUJMKYLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(2,3)18(24)25-23-9-5-6-14(11-23)17-12-22(13-21-17)16-8-4-7-15(20)10-16/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3.
What are the key properties of [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate?
[3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 345.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-fluorophenyl)imidazol-4-yl]piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174516086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).