1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C17H24N2O3 — CID 51211834

IUPAC1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)16(20)18-7-9-19(10-8-18)17(21)14-11-13(3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQURQTHHNYPBTHI-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.94
Rot. Bonds3

About 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one

1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 51211834) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID51211834
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccc(C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-12(2)16(20)18-7-9-19(10-8-18)17(21)14-11-13(3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyQURQTHHNYPBTHI-UHFFFAOYSA-N
XLogP1.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methoxy-5-propan-2-ylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110800214
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
(2,5-dimethylphenyl)-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110814877
(2-methoxy-5-methylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51211149
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
2-(4-fluorophenyl)-1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]ethanone
CID 55657486
1,4-diazepan-1-yl-(2-methoxy-5-methylphenyl)methanone
CID 62504199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 51211834) is 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is COc1ccc(C)cc1C(=O)N1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is QURQTHHNYPBTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(2)16(20)18-7-9-19(10-8-18)17(21)14-11-13(3)5-6-15(14)22-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 51211834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).