3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one

C18H26N2O2 — CID 24715958

IUPAC3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)C(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C
InChIInChI=1S/C18H26N2O2/c1-12(2)15-6-8-16(9-7-15)20-11-10-19(14(5)18(20)22)17(21)13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyXAQOCOGYQOSGHY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one

3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 24715958) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID24715958
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(C)C(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C
InChIInChI=1S/C18H26N2O2/c1-12(2)15-6-8-16(9-7-15)20-11-10-19(14(5)18(20)22)17(21)13(3)4/h6-9,12-14H,10-11H2,1-5H3
InChIKeyXAQOCOGYQOSGHY-UHFFFAOYSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036191
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93321508
1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 24716488
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93292545
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24715980
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93322313
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 24715958) is 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is CC(C)C(=O)N1CCN(c2ccc(C(C)C)cc2)C(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is XAQOCOGYQOSGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)15-6-8-16(9-7-15)20-11-10-19(14(5)18(20)22)17(21)13(3)4/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 302.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 24715958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).