1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one

C16H21NO3 — CID 98019322

IUPAC1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one
SMILESCOc1c(C)cc(C)cc1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-11-8-12(2)16(20-3)13(9-11)10-15(19)17-6-4-14(18)5-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyLTBAAZFQURZVAV-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one

1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one (PubChem CID 98019322) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one
PubChem CID98019322
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one
SMILESCOc1c(C)cc(C)cc1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-11-8-12(2)16(20-3)13(9-11)10-15(19)17-6-4-14(18)5-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyLTBAAZFQURZVAV-UHFFFAOYSA-N
XLogP2.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110769302
1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
CID 98019302
1-[4-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperazin-1-yl]-2-(1H-pyrrol-2-yl)ethanone
CID 110815924
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-(2-methoxy-3,5-dimethylphenyl)ethanone
CID 110810167
4-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110813893
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
1-(4-acetylpiperazin-1-yl)-2-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 110769579
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
1-[4-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817376

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one (CID 98019322) is 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one is COc1c(C)cc(C)cc1CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one?
The InChIKey is LTBAAZFQURZVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-8-12(2)16(20-3)13(9-11)10-15(19)17-6-4-14(18)5-7-17/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one?
1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one is sourced from PubChem (CID 98019322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).