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

C16H21NO3 — CID 98019302

IUPAC1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-11-8-13(15(20-3)9-12(11)2)10-16(19)17-6-4-14(18)5-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyQDYCKMBIANXXJM-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.05
Rot. Bonds3

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

1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one (PubChem CID 98019302) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
PubChem CID98019302
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C16H21NO3/c1-11-8-13(15(20-3)9-12(11)2)10-16(19)17-6-4-14(18)5-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyQDYCKMBIANXXJM-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

1-[2-(2-methoxy-3,5-dimethylphenyl)acetyl]piperidin-4-one
CID 98019322
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110800533
1-(4-ethylsulfonylpiperazin-1-yl)-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110804747
ethyl 4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110809096
4-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812984
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 110803874
1-(4-acetylpiperazin-1-yl)-2-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 110768671
2-(4-methoxy-2,5-dimethylphenyl)-1-morpholin-4-ylethanone
CID 110767973
2-(4,5-dimethoxy-2-methylphenyl)-1-morpholin-4-ylethanone
CID 110770037
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 110800534
1-[4-[2-(4,5-dimethoxy-2-methylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one (CID 98019302) is 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one is COc1cc(C)c(C)cc1CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[2-(2-methoxy-4,5-dimethylphenyl)acetyl]piperidin-4-one?
The InChIKey is QDYCKMBIANXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-8-13(15(20-3)9-12(11)2)10-16(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-4,5-dimethylphenyl)acetyl]piperidin-4-one?
1-[2-(2-methoxy-4,5-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-4,5-dimethylphenyl)acetyl]piperidin-4-one is sourced from PubChem (CID 98019302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).