[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone

C20H24N2O — CID 124938243

IUPAC[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)c(C)n2)cc1
InChIInChI=1S/C20H24N2O/c1-14-6-8-17(9-7-14)19-11-10-18(16(3)21-19)20(23)22-12-4-5-15(2)13-22/h6-11,15H,4-5,12-13H2,1-3H3/t15-/m0/s1
InChIKeyHJNNFVQXLBNLLN-HNNXBMFYSA-N
MW308.43 g/mol
LogP4.24
Rot. Bonds2

About [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone

[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 124938243) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID124938243
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)c(C)n2)cc1
InChIInChI=1S/C20H24N2O/c1-14-6-8-17(9-7-14)19-11-10-18(16(3)21-19)20(23)22-12-4-5-15(2)13-22/h6-11,15H,4-5,12-13H2,1-3H3/t15-/m0/s1
InChIKeyHJNNFVQXLBNLLN-HNNXBMFYSA-N
XLogP4.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(4-fluorophenyl)-2-methyl-3-pyridinyl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 124938472
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331
[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854350
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 46434956
[3-(4-methylphenyl)-1,2-oxazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 86980129
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854053

Frequently Asked Questions

What is the IUPAC name of [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 124938243) is [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)c(C)n2)cc1.
What is the InChIKey of [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is HJNNFVQXLBNLLN-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14-6-8-17(9-7-14)19-11-10-18(16(3)21-19)20(23)22-12-4-5-15(2)13-22/h6-11,15H,4-5,12-13H2,1-3H3/t15-/m0/s1.
What are the key properties of [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 308.43 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-6-(4-methylphenyl)-3-pyridinyl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 124938243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).