1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one

C20H30N2O3 — CID 159724380

IUPAC1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1.COc1ccc(CN2C(=O)CCCC2C)cc1
InChIInChI=1S/C14H19NO2.C6H11NO/c1-11-4-3-5-14(16)15(11)10-12-6-8-13(17-2)9-7-12;1-5-3-2-4-6(8)7-5/h6-9,11H,3-5,10H2,1-2H3;5H,2-4H2,1H3,(H,7,8)
InChIKeyNALGHENRGZRDJW-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.27
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one

1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one (PubChem CID 159724380) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
PubChem CID159724380
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one
SMILESCC1CCCC(=O)N1.COc1ccc(CN2C(=O)CCCC2C)cc1
InChIInChI=1S/C14H19NO2.C6H11NO/c1-11-4-3-5-14(16)15(11)10-12-6-8-13(17-2)9-7-12;1-5-3-2-4-6(8)7-5/h6-9,11H,3-5,10H2,1-2H3;5H,2-4H2,1H3,(H,7,8)
InChIKeyNALGHENRGZRDJW-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
(3S)-6-hydroxy-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 139805560
1-[(4-methoxyphenyl)methyl]-5-prop-2-enylpyrrolidin-2-one
CID 102168019
(6S)-1-[(4-methoxyphenyl)methyl]-6-[(E,2S)-5-oxo-5-phenylpent-3-en-2-yl]piperidin-2-one
CID 132821709
(2S)-1-[(4-fluorophenyl)methyl]-N'-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155537989
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
N'-[(4-hydroxyphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 174937980
1-[(4-methoxyphenyl)methyl]-N'-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide
CID 146469723
1-[[4-(trifluoromethoxy)phenyl]methyl]-6-(2,4,6-trimethoxyphenyl)piperidin-2-one
CID 69085032
1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
(2S)-N'-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboximidamide;hydrochloride
CID 155534976

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one (CID 159724380) is 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one is CC1CCCC(=O)N1.COc1ccc(CN2C(=O)CCCC2C)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one?
The InChIKey is NALGHENRGZRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C6H11NO/c1-11-4-3-5-14(16)15(11)10-12-6-8-13(17-2)9-7-12;1-5-3-2-4-6(8)7-5/h6-9,11H,3-5,10H2,1-2H3;5H,2-4H2,1H3,(H,7,8).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one?
1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one has a molecular weight of 346.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-6-methylpiperidin-2-one;6-methylpiperidin-2-one is sourced from PubChem (CID 159724380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).