[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone

C18H20N2O — CID 70706897

IUPAC[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cccc(C2CCCN(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C18H20N2O/c1-14-6-4-7-15(12-14)16-8-5-11-20(13-16)18(21)17-9-2-3-10-19-17/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3
InChIKeyYVOPPJXNDSBYLP-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds2

About [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone

[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 70706897) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID70706897
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cccc(C2CCCN(C(=O)c3ccccn3)C2)c1
InChIInChI=1S/C18H20N2O/c1-14-6-4-7-15(12-14)16-8-5-11-20(13-16)18(21)17-9-2-3-10-19-17/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3
InChIKeyYVOPPJXNDSBYLP-UHFFFAOYSA-N
XLogP3.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70777670
2-methyl-6-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]pyran-4-one
CID 99994685
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122257904
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
[3-(bromomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 80660201

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 70706897) is [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone is Cc1cccc(C2CCCN(C(=O)c3ccccn3)C2)c1.
What is the InChIKey of [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is YVOPPJXNDSBYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-6-4-7-15(12-14)16-8-5-11-20(13-16)18(21)17-9-2-3-10-19-17/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3.
What are the key properties of [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 280.37 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 70706897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).