2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one

C18H26N2O2 — CID 110800217

IUPAC2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-12(2)17(21)19-6-8-20(9-7-19)18(22)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyMOJJGJQTSFZLPF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.55
Rot. Bonds2

About 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110800217) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110800217
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)c1
InChIInChI=1S/C18H26N2O2/c1-12(2)17(21)19-6-8-20(9-7-19)18(22)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3
InChIKeyMOJJGJQTSFZLPF-UHFFFAOYSA-N
XLogP2.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806225
2-methyl-1-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 113076267
methyl 4-(2,4,6-trimethylbenzoyl)piperazine-1-carboxylate
CID 110803264
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
2-methyl-1-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110806268
methyl 4-(2,4,6-trimethylbenzoyl)-1,4-diazepane-1-carboxylate
CID 110808728
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 112627391
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 90589998
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 51211834
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7539819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one (CID 110800217) is 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one is Cc1cc(C)c(C(=O)N2CCN(C(=O)C(C)C)CC2)c(C)c1.
What is the InChIKey of 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is MOJJGJQTSFZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)17(21)19-6-8-20(9-7-19)18(22)16-14(4)10-13(3)11-15(16)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110800217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).