[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone

C23H23N3O — CID 110091917

IUPAC[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C23H23N3O/c1-17-14-20(18-8-3-2-4-9-18)15-22(25-17)19-10-7-13-26(16-19)23(27)21-11-5-6-12-24-21/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3
InChIKeyYJXMFZHLFIBCAH-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.47
Rot. Bonds3

About [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110091917) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID110091917
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C23H23N3O/c1-17-14-20(18-8-3-2-4-9-18)15-22(25-17)19-10-7-13-26(16-19)23(27)21-11-5-6-12-24-21/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3
InChIKeyYJXMFZHLFIBCAH-UHFFFAOYSA-N
XLogP4.47
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
[(3R)-3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 125026598
3-[(3R)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 129459783
3-methyl-2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-6,7-dihydro-5H-1-benzofuran-4-one
CID 124998727
isoquinolin-1-yl-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091884
[3-[6-(methylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110239982
[(3S)-3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-quinolin-6-ylmethanone
CID 124968000
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
(2-amino-6-methylpyrimidin-4-yl)-[3-[4-(4-methoxyphenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110091898

Frequently Asked Questions

What is the IUPAC name of [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 110091917) is [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone is Cc1cc(-c2ccccc2)cc(C2CCCN(C(=O)c3ccccn3)C2)n1.
What is the InChIKey of [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is YJXMFZHLFIBCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-14-20(18-8-3-2-4-9-18)15-22(25-17)19-10-7-13-26(16-19)23(27)21-11-5-6-12-24-21/h2-6,8-9,11-12,14-15,19H,7,10,13,16H2,1H3.
What are the key properties of [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 357.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110091917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).