[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone

C23H25N3O — CID 90650856

IUPAC[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1ccccc1C(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C23H25N3O/c1-18-7-2-3-9-20(18)21-10-4-5-11-22(21)23(27)26-13-6-8-19(16-26)15-25-14-12-24-17-25/h2-5,7,9-12,14,17,19H,6,8,13,15-16H2,1H3
InChIKeyAXVQLLKYHRJENH-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.41
Rot. Bonds4

About [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone

[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone (PubChem CID 90650856) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
PubChem CID90650856
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1ccccc1C(=O)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C23H25N3O/c1-18-7-2-3-9-20(18)21-10-4-5-11-22(21)23(27)26-13-6-8-19(16-26)15-25-14-12-24-17-25/h2-5,7,9-12,14,17,19H,6,8,13,15-16H2,1H3
InChIKeyAXVQLLKYHRJENH-UHFFFAOYSA-N
XLogP4.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97116810
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 72923772
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 97206767
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56748072
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 95225853
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 110244283
[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799

Frequently Asked Questions

What is the IUPAC name of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone?
The IUPAC name of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone (CID 90650856) is [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone.
What is the SMILES notation for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone?
The canonical SMILES for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone is Cc1ccccc1-c1ccccc1C(=O)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone?
The InChIKey is AXVQLLKYHRJENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-18-7-2-3-9-20(18)21-10-4-5-11-22(21)23(27)26-13-6-8-19(16-26)15-25-14-12-24-17-25/h2-5,7,9-12,14,17,19H,6,8,13,15-16H2,1H3.
What are the key properties of [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone?
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone has a molecular weight of 359.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone is sourced from PubChem (CID 90650856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).