1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one

C19H25N3O — CID 70394917

IUPAC1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
SMILESCC1CCCCN1CCC(=O)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-16-4-2-3-11-21(16)12-9-19(23)14-17-5-7-18(8-6-17)22-13-10-20-15-22/h5-8,10,13,15-16H,2-4,9,11-12,14H2,1H3
InChIKeyBXVVPDFOEJGGSJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one

1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one (PubChem CID 70394917) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
PubChem CID70394917
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one
SMILESCC1CCCCN1CCC(=O)Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H25N3O/c1-16-4-2-3-11-21(16)12-9-19(23)14-17-5-7-18(8-6-17)22-13-10-20-15-22/h5-8,10,13,15-16H,2-4,9,11-12,14H2,1H3
InChIKeyBXVVPDFOEJGGSJ-UHFFFAOYSA-N
XLogP3.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
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1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-imidazol-1-ylphenyl)ethanone
CID 126840362
1-[2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70738643
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CID 79680062
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(4-imidazol-1-ylphenyl)methanone
CID 129430226
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
4-[4-(2-methylpiperidin-1-yl)butyl]phenol
CID 82187998
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
2-cyclopentyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 71884444
N-[(4-imidazol-1-ylphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615497

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one (CID 70394917) is 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one is CC1CCCCN1CCC(=O)Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
The InChIKey is BXVVPDFOEJGGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-16-4-2-3-11-21(16)12-9-19(23)14-17-5-7-18(8-6-17)22-13-10-20-15-22/h5-8,10,13,15-16H,2-4,9,11-12,14H2,1H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one?
1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one has a molecular weight of 311.43 g/mol, XLogP of 3.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-4-(2-methylpiperidin-1-yl)butan-2-one is sourced from PubChem (CID 70394917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).