4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

C18H22N2O — CID 138379737

IUPAC4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C18H22N2O/c1-14-3-2-4-15(11-14)13-20-9-6-16(7-10-20)17-5-8-19-18(21)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,19,21)
InChIKeyIKZXMYAJGRJRBF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.06
Rot. Bonds3

About 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one

4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138379737) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138379737
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCc1cccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c1
InChIInChI=1S/C18H22N2O/c1-14-3-2-4-15(11-14)13-20-9-6-16(7-10-20)17-5-8-19-18(21)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,19,21)
InChIKeyIKZXMYAJGRJRBF-UHFFFAOYSA-N
XLogP3.06
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384381
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074
4-(3-methylphenyl)-1-[(4-methylphenyl)methyl]piperidine
CID 143844353
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
4-[1-[2-(4-hydroxyphenyl)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138382787
4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387388
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
4-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1H-pyridin-2-one
CID 138377966
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
5-[[4-[4-(3-methylphenyl)cyclohexyl]piperazin-1-yl]methyl]-1H-pyridin-2-one
CID 155289395

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138379737) is 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is Cc1cccc(CN2CCC(c3cc[nH]c(=O)c3)CC2)c1.
What is the InChIKey of 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is IKZXMYAJGRJRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-3-2-4-15(11-14)13-20-9-6-16(7-10-20)17-5-8-19-18(21)12-17/h2-5,8,11-12,16H,6-7,9-10,13H2,1H3,(H,19,21).
What are the key properties of 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 282.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138379737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).