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

C19H24N2O2 — CID 138384381

IUPAC4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCOc1cc(C)ccc1CN1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H24N2O2/c1-14-3-4-17(18(11-14)23-2)13-21-9-6-15(7-10-21)16-5-8-20-19(22)12-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22)
InChIKeyAAIHRERNBYSRGG-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.07
Rot. Bonds4

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

4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138384381) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138384381
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
SMILESCOc1cc(C)ccc1CN1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C19H24N2O2/c1-14-3-4-17(18(11-14)23-2)13-21-9-6-15(7-10-21)16-5-8-20-19(22)12-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22)
InChIKeyAAIHRERNBYSRGG-UHFFFAOYSA-N
XLogP3.07
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2,3-difluoro-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138380074
4-[1-[(4-ethoxy-3-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138378750
4-[1-[2-(2,4-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138384771
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727
1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 47010589
4-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384179
4-[1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138387388
2-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-N-methyl-1H-imidazole-5-carboxamide
CID 92619042
1-[(2-methoxy-4-methylphenyl)methyl]pyridin-2-one
CID 118907167
N-[6-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110093978
N-cycloheptyl-2-[4-(2-oxo-1H-pyridin-4-yl)piperidin-1-yl]acetamide
CID 138386265
formic acid;(4R,5R)-4-methoxy-7-[(2-methoxy-4-methylphenyl)methyl]-7-azaspiro[4.5]decane
CID 154918113

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one (CID 138384381) is 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is COc1cc(C)ccc1CN1CCC(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is AAIHRERNBYSRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-3-4-17(18(11-14)23-2)13-21-9-6-15(7-10-21)16-5-8-20-19(22)12-16/h3-5,8,11-12,15H,6-7,9-10,13H2,1-2H3,(H,20,22).
What are the key properties of 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one?
4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 312.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-methoxy-4-methylphenyl)methyl]piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138384381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).