1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

C18H21FN4O2 — CID 18159932

IUPAC1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O2/c1-13(2)17(24)21-7-9-22(10-8-21)18(25)16-11-20-12-23(16)15-5-3-14(19)4-6-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUMQAHHHYIWMLNE-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.95
Rot. Bonds3

About 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 18159932) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID18159932
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H21FN4O2/c1-13(2)17(24)21-7-9-22(10-8-21)18(25)16-11-20-12-23(16)15-5-3-14(19)4-6-15/h3-6,11-13H,7-10H2,1-2H3
InChIKeyUMQAHHHYIWMLNE-UHFFFAOYSA-N
XLogP1.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 146127877
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55367281
[3-(4-fluorophenyl)imidazol-4-yl]-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24515294
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119576959
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
[3-(4-fluorophenyl)imidazol-4-yl]-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 25486840
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 119635615
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone;dihydrochloride
CID 119635614
[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 112829933
[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-(3-phenylimidazol-4-yl)methanone
CID 95606856

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one (CID 18159932) is 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is UMQAHHHYIWMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13(2)17(24)21-7-9-22(10-8-21)18(25)16-11-20-12-23(16)15-5-3-14(19)4-6-15/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 18159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).