4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

C17H24N2O3 — CID 24715973

IUPAC4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1
InChIInChI=1S/C17H24N2O3/c1-12-15(20)19(13-7-6-8-14(11-13)22-5)10-9-18(12)16(21)17(2,3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyCADGVPBBRQQLIX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.31
Rot. Bonds2

About 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one

4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (PubChem CID 24715973) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
PubChem CID24715973
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1
InChIInChI=1S/C17H24N2O3/c1-12-15(20)19(13-7-6-8-14(11-13)22-5)10-9-18(12)16(21)17(2,3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKeyCADGVPBBRQQLIX-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-4-(2,2-dimethylpropanoyl)-3-methylpiperazin-2-one
CID 24716466
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
4-(4-chlorobenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 46036252
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(3-methoxyphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 126441036
1-(3-methoxyphenyl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
CID 46036257
1-(4-ethylphenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 46036089
(3R)-1-(3-methoxyphenyl)-3-methyl-4-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]piperazin-2-one
CID 95130698
1-(4-bromophenyl)-4-(3-methoxybenzoyl)-3-methylpiperazin-2-one
CID 71954781
4-(3,3-dimethylbutanoyl)-1-(3-ethoxyphenyl)-3-methylpiperazin-2-one
CID 24716441
1-(3-methoxyphenyl)-3-methyl-4-(5-propyl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 46995780
formic acid;1-(3-methoxyphenyl)-3-methyl-4-(1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-6-carbonyl)piperazin-2-one
CID 163341679

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one (CID 24715973) is 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is COc1cccc(N2CCN(C(=O)C(C)(C)C)C(C)C2=O)c1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
The InChIKey is CADGVPBBRQQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-15(20)19(13-7-6-8-14(11-13)22-5)10-9-18(12)16(21)17(2,3)4/h6-8,11-12H,9-10H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one?
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24715973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).