[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

C17H21FN4O — CID 119395442

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O/c1-19-9-13-3-2-8-21(11-13)17(23)16-10-20-12-22(16)15-6-4-14(18)5-7-15/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3
InChIKeyHSMOOGZOWUIZGI-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.08
Rot. Bonds4

About [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395442) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395442
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O/c1-19-9-13-3-2-8-21(11-13)17(23)16-10-20-12-22(16)15-6-4-14(18)5-7-15/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3
InChIKeyHSMOOGZOWUIZGI-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(4-fluorophenyl)imidazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119543316
1-(3-fluorophenyl)-3-[[1-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperidin-3-yl]methyl]urea
CID 56504183
[1-(4-fluorophenyl)pyrazol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395031
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(3S)-1-[3-(4-fluorophenyl)imidazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610445
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397492
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone
CID 119635615
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51487794
[3-(4-fluorophenyl)imidazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119576959
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(4-fluorophenyl)imidazol-4-yl]methanone;dihydrochloride
CID 119635614
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(4-fluorophenyl)-[2-[(3S)-3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanone
CID 124687008

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395442) is [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cncn2-c2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is HSMOOGZOWUIZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-19-9-13-3-2-8-21(11-13)17(23)16-10-20-12-22(16)15-6-4-14(18)5-7-15/h4-7,10,12-13,19H,2-3,8-9,11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).