1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one

C17H24N2O2 — CID 110799984

IUPAC1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-5-16(20)18-8-10-19(11-9-18)17(21)15-7-6-13(2)12-14(15)3/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyADTRSZKRYYVPDM-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.39
Rot. Bonds3

About 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one

1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one (PubChem CID 110799984) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
PubChem CID110799984
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C17H24N2O2/c1-4-5-16(20)18-8-10-19(11-9-18)17(21)15-7-6-13(2)12-14(15)3/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyADTRSZKRYYVPDM-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(2,4-dimethylphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110366640
1-[4-(2-methylbenzoyl)piperazin-1-yl]butan-1-one
CID 110365357
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
ethyl 4-(2,4-dimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808960
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110815046
[4-(2-chloroethyl)piperazin-1-yl]-(2,4-dimethylphenyl)methanone
CID 63395254
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
(2,4-dimethylphenyl)-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779839
methyl 4-[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110801295
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 110817309

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one (CID 110799984) is 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one?
The InChIKey is ADTRSZKRYYVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-5-16(20)18-8-10-19(11-9-18)17(21)15-7-6-13(2)12-14(15)3/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one?
1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 110799984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).