(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

C18H23N3O — CID 125164514

IUPAC(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14-16(20(3)13-19-14)17(22)21-11-7-10-18(2,12-21)15-8-5-4-6-9-15/h4-6,8-9,13H,7,10-12H2,1-3H3/t18-/m1/s1
InChIKeyCQZPXFWRPIENGY-GOSISDBHSA-N
MW297.40 g/mol
LogP2.92
Rot. Bonds2

About (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone

(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (PubChem CID 125164514) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
PubChem CID125164514
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1CCC[C@@](C)(c2ccccc2)C1
InChIInChI=1S/C18H23N3O/c1-14-16(20(3)13-19-14)17(22)21-11-7-10-18(2,12-21)15-8-5-4-6-9-15/h4-6,8-9,13H,7,10-12H2,1-3H3/t18-/m1/s1
InChIKeyCQZPXFWRPIENGY-GOSISDBHSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone (CID 125164514) is (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is Cc1ncn(C)c1C(=O)N1CCC[C@@](C)(c2ccccc2)C1.
What is the InChIKey of (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The InChIKey is CQZPXFWRPIENGY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-16(20(3)13-19-14)17(22)21-11-7-10-18(2,12-21)15-8-5-4-6-9-15/h4-6,8-9,13H,7,10-12H2,1-3H3/t18-/m1/s1.
What are the key properties of (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone?
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 125164514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).