3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one

C20H22N2O2 — CID 24716351

IUPAC3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccccc3C)C(C)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-14-7-6-9-17(13-14)22-12-11-21(16(3)19(22)23)20(24)18-10-5-4-8-15(18)2/h4-10,13,16H,11-12H2,1-3H3
InChIKeyCPGXBAWOWNXDNG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.18
Rot. Bonds2

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

3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one (PubChem CID 24716351) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
PubChem CID24716351
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)c3ccccc3C)C(C)C2=O)c1
InChIInChI=1S/C20H22N2O2/c1-14-7-6-9-17(13-14)22-12-11-21(16(3)19(22)23)20(24)18-10-5-4-8-15(18)2/h4-10,13,16H,11-12H2,1-3H3
InChIKeyCPGXBAWOWNXDNG-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93321473
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
4-(4-chlorobenzoyl)-3-methyl-1-(3-methylphenyl)piperazin-2-one
CID 42847343
4-(2-chlorobenzoyl)-1-(3-fluorophenyl)-3-methylpiperazin-2-one
CID 24716622
(3S)-3-methyl-1-(3-methylphenyl)-4-(4-nitrobenzoyl)piperazin-2-one
CID 93290707
1-(3-methoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 24715974
(3R)-4-(2-methoxybenzoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 93322353
(3S)-1-(2-methoxyphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93292651
1-(3-fluorophenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 24716334
(3S)-4-(2-chlorobenzoyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 93321800
(3R)-1-(3,4-dimethoxyphenyl)-3-methyl-4-(3-methylbenzoyl)piperazin-2-one
CID 93292424
3-methyl-4-(3-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one (CID 24716351) is 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one is Cc1cccc(N2CCN(C(=O)c3ccccc3C)C(C)C2=O)c1.
What is the InChIKey of 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one?
The InChIKey is CPGXBAWOWNXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-7-6-9-17(13-14)22-12-11-21(16(3)19(22)23)20(24)18-10-5-4-8-15(18)2/h4-10,13,16H,11-12H2,1-3H3.
What are the key properties of 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one?
3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one has a molecular weight of 322.41 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylbenzoyl)-1-(3-methylphenyl)piperazin-2-one is sourced from PubChem (CID 24716351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).