(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone

C17H21N3O — CID 45179915

IUPAC(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(c3ccccc3C)C2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-6-3-4-8-15(12)14-7-5-9-20(11-14)17(21)16-18-10-13(2)19-16/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyTVVCEJXXLCKXAD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.05
Rot. Bonds2

About (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone

(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 45179915) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID45179915
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(c3ccccc3C)C2)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-6-3-4-8-15(12)14-7-5-9-20(11-14)17(21)16-18-10-13(2)19-16/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,18,19)
InChIKeyTVVCEJXXLCKXAD-UHFFFAOYSA-N
XLogP3.05
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone (CID 45179915) is (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCC(c3ccccc3C)C2)[nH]1.
What is the InChIKey of (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is TVVCEJXXLCKXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-6-3-4-8-15(12)14-7-5-9-20(11-14)17(21)16-18-10-13(2)19-16/h3-4,6,8,10,14H,5,7,9,11H2,1-2H3,(H,18,19).
What are the key properties of (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone?
(5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-2-yl)-[3-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 45179915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).