4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one

C14H18N2O2 — CID 63373754

IUPAC4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2C)cc1C
InChIInChI=1S/C14H18N2O2/c1-9-4-5-12(8-10(9)2)14(18)16-7-6-15-13(17)11(16)3/h4-5,8,11H,6-7H2,1-3H3,(H,15,17)
InChIKeyDXRCRLCNRLDYSK-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.26
Rot. Bonds1

About 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one

4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one (PubChem CID 63373754) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
PubChem CID63373754
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
SMILESCc1ccc(C(=O)N2CCNC(=O)C2C)cc1C
InChIInChI=1S/C14H18N2O2/c1-9-4-5-12(8-10(9)2)14(18)16-7-6-15-13(17)11(16)3/h4-5,8,11H,6-7H2,1-3H3,(H,15,17)
InChIKeyDXRCRLCNRLDYSK-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
(3S)-4-(4-benzylbenzoyl)-3-methylpiperazin-2-one
CID 25283951
4-methyl-3-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 63607138
3-methyl-4-(4-methylsulfanyl-3-nitrobenzoyl)piperazin-2-one
CID 63373726
4-[3-(3,4-dimethylphenyl)sulfanylpropanoyl]-3-methylpiperazin-2-one
CID 63078512
3-methyl-4-(5-methylfuran-2-carbonyl)piperazin-2-one
CID 63373501
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one (CID 63373754) is 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one is Cc1ccc(C(=O)N2CCNC(=O)C2C)cc1C.
What is the InChIKey of 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one?
The InChIKey is DXRCRLCNRLDYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-4-5-12(8-10(9)2)14(18)16-7-6-15-13(17)11(16)3/h4-5,8,11H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one?
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 63373754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).