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

C19H20N2O2 — CID 110657157

IUPAC4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C19H20N2O2/c1-13-7-3-5-9-15(13)17-18(22)20-11-12-21(17)19(23)16-10-6-4-8-14(16)2/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeySBBMDORQRWHGTO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.62
Rot. Bonds2

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

4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one (PubChem CID 110657157) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
PubChem CID110657157
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one
SMILESCc1ccccc1C(=O)N1CCNC(=O)C1c1ccccc1C
InChIInChI=1S/C19H20N2O2/c1-13-7-3-5-9-15(13)17-18(22)20-11-12-21(17)19(23)16-10-6-4-8-14(16)2/h3-10,17H,11-12H2,1-2H3,(H,20,22)
InChIKeySBBMDORQRWHGTO-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657163
4-(2H-benzotriazole-4-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 86804542
3-(2-methylphenyl)-4-propanoylpiperazin-2-one
CID 110657143
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
4-(3,3-dimethylbutanoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657246
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
N,N-diethyl-2-(2-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 110657229
4-(adamantane-1-carbonyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657233
4-(2-bromobenzoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110420010
4-(2-bromobenzoyl)-3-phenylpiperazin-2-one
CID 110419857
(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one (CID 110657157) is 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one is Cc1ccccc1C(=O)N1CCNC(=O)C1c1ccccc1C.
What is the InChIKey of 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one?
The InChIKey is SBBMDORQRWHGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-13-7-3-5-9-15(13)17-18(22)20-11-12-21(17)19(23)16-10-6-4-8-14(16)2/h3-10,17H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one?
4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbenzoyl)-3-(2-methylphenyl)piperazin-2-one is sourced from PubChem (CID 110657157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).