[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone

C20H27N3O — CID 72882305

IUPAC[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCCCCn1ccnc1C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H27N3O/c1-3-4-12-22-15-11-21-19(22)17-9-13-23(14-10-17)20(24)18-8-6-5-7-16(18)2/h5-8,11,15,17H,3-4,9-10,12-14H2,1-2H3
InChIKeyVJRFLMINQQSZCD-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.01
Rot. Bonds5

About [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone

[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone (PubChem CID 72882305) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
PubChem CID72882305
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone
SMILESCCCCn1ccnc1C1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C20H27N3O/c1-3-4-12-22-15-11-21-19(22)17-9-13-23(14-10-17)20(24)18-8-6-5-7-16(18)2/h5-8,11,15,17H,3-4,9-10,12-14H2,1-2H3
InChIKeyVJRFLMINQQSZCD-UHFFFAOYSA-N
XLogP4.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 72936622
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 72912139
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 97278309
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-quinolin-4-ylmethanone
CID 72843426
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propan-1-one
CID 97269439
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732
3-[(3S)-3-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97284614
(2S)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 97143967
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 72864352
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 72925619

Frequently Asked Questions

What is the IUPAC name of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone (CID 72882305) is [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone is CCCCn1ccnc1C1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is VJRFLMINQQSZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-4-12-22-15-11-21-19(22)17-9-13-23(14-10-17)20(24)18-8-6-5-7-16(18)2/h5-8,11,15,17H,3-4,9-10,12-14H2,1-2H3.
What are the key properties of [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone?
[4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 325.46 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 72882305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).