4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one

C16H22N2O3 — CID 110708267

IUPAC4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
SMILESCOc1cccc(CCC(=O)N2CCN(C)C(=O)C2C)c1
InChIInChI=1S/C16H22N2O3/c1-12-16(20)17(2)9-10-18(12)15(19)8-7-13-5-4-6-14(11-13)21-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyABFYRQDQQKWGQL-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.32
Rot. Bonds4

About 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one

4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one (PubChem CID 110708267) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
PubChem CID110708267
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
SMILESCOc1cccc(CCC(=O)N2CCN(C)C(=O)C2C)c1
InChIInChI=1S/C16H22N2O3/c1-12-16(20)17(2)9-10-18(12)15(19)8-7-13-5-4-6-14(11-13)21-3/h4-6,11-12H,7-10H2,1-3H3
InChIKeyABFYRQDQQKWGQL-UHFFFAOYSA-N
XLogP1.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
(2S)-N-[2-(3-methoxyphenyl)phenyl]-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 125168037
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-one
CID 112536109
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-(6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110635946
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 146073977

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one (CID 110708267) is 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one is COc1cccc(CCC(=O)N2CCN(C)C(=O)C2C)c1.
What is the InChIKey of 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one?
The InChIKey is ABFYRQDQQKWGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-16(20)17(2)9-10-18(12)15(19)8-7-13-5-4-6-14(11-13)21-3/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one?
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one is sourced from PubChem (CID 110708267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).