[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C20H22N2O — CID 143311427

IUPAC[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESC=Cc1cccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H22N2O/c1-3-16-6-4-7-17(14-16)18-8-5-9-19(21-18)20(23)22-12-10-15(2)11-13-22/h3-9,14-15H,1,10-13H2,2H3
InChIKeyBWDFGWRCYMSJFN-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.26
Rot. Bonds3

About [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 143311427) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID143311427
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESC=Cc1cccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H22N2O/c1-3-16-6-4-7-17(14-16)18-8-5-9-19(21-18)20(23)22-12-10-15(2)11-13-22/h3-9,14-15H,1,10-13H2,2H3
InChIKeyBWDFGWRCYMSJFN-UHFFFAOYSA-N
XLogP4.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(3-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211283
[6-(4-tert-butylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211121
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone
CID 58211071
(4-methylpiperidin-1-yl)-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-pyridinyl]methanone
CID 109095456
(3E)-4-fluoro-N,N,2,2-tetramethylhexa-3,5-dienamide;4-methylcyclohexan-1-amine;(4-methylpiperidin-1-yl)-(6-phenyl-2-pyridinyl)methanone
CID 143189833
N-(3,5-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095481
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(4-methylpiperidin-1-yl)-[6-(propylamino)-2-pyridinyl]methanone
CID 62240105

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 143311427) is [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is C=Cc1cccc(-c2cccc(C(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is BWDFGWRCYMSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-16-6-4-7-17(14-16)18-8-5-9-19(21-18)20(23)22-12-10-15(2)11-13-22/h3-9,14-15H,1,10-13H2,2H3.
What are the key properties of [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethenylphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 143311427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).