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

C22H26N2O2 — CID 46036208

IUPAC3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)C2C)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-8-10-20(11-9-18)24-13-12-23(17(4)21(24)25)22(26)19-7-5-6-16(3)14-19/h5-11,14-15,17H,12-13H2,1-4H3
InChIKeyUBAMQWKEXBJTGV-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.00
Rot. Bonds3

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

3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 46036208) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID46036208
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)C2C)c1
InChIInChI=1S/C22H26N2O2/c1-15(2)18-8-10-20(11-9-18)24-13-12-23(17(4)21(24)25)22(26)19-7-5-6-16(3)14-19/h5-11,14-15,17H,12-13H2,1-4H3
InChIKeyUBAMQWKEXBJTGV-UHFFFAOYSA-N
XLogP4.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.00
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-(4-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 42847321
(3R)-4-(3,4-dichlorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93322313
(3R)-4-(4-fluorobenzoyl)-3-methyl-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93292545
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
3-methyl-1-(4-propan-2-ylphenyl)-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718890
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
4-benzoyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 24716215
(3R)-3-methyl-4-(3-methylbenzoyl)-1-(2-phenylphenyl)piperazin-2-one
CID 93323612

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one (CID 46036208) is 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is Cc1cccc(C(=O)N2CCN(c3ccc(C(C)C)cc3)C(=O)C2C)c1.
What is the InChIKey of 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is UBAMQWKEXBJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(2)18-8-10-20(11-9-18)24-13-12-23(17(4)21(24)25)22(26)19-7-5-6-16(3)14-19/h5-11,14-15,17H,12-13H2,1-4H3.
What are the key properties of 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one?
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 46036208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).