4-(2-amino-5-methylbenzoyl)piperazin-2-one

C12H15N3O2 — CID 62510710

IUPAC4-(2-amino-5-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(N)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H15N3O2/c1-8-2-3-10(13)9(6-8)12(17)15-5-4-14-11(16)7-15/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyBYANHOVZOCMCBU-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.15
Rot. Bonds1

About 4-(2-amino-5-methylbenzoyl)piperazin-2-one

4-(2-amino-5-methylbenzoyl)piperazin-2-one (PubChem CID 62510710) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-amino-5-methylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methylbenzoyl)piperazin-2-one
PubChem CID62510710
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(2-amino-5-methylbenzoyl)piperazin-2-one
SMILESCc1ccc(N)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C12H15N3O2/c1-8-2-3-10(13)9(6-8)12(17)15-5-4-14-11(16)7-15/h2-3,6H,4-5,7,13H2,1H3,(H,14,16)
InChIKeyBYANHOVZOCMCBU-UHFFFAOYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-(3-amino-2,5-difluorobenzoyl)piperazin-2-one
CID 107120303
1-(2-amino-5-methylbenzoyl)-7-methyl-1,4-diazepan-5-one;ethane-1,2-diimine
CID 145012522
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
1-(5-amino-2,4-dimethylbenzoyl)-1,4-diazepan-5-one
CID 102705540
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-aminothiophene-2-carbonyl)piperazin-2-one
CID 61090174

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-5-methylbenzoyl)piperazin-2-one (CID 62510710) is 4-(2-amino-5-methylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-methylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-5-methylbenzoyl)piperazin-2-one is Cc1ccc(N)c(C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(2-amino-5-methylbenzoyl)piperazin-2-one?
The InChIKey is BYANHOVZOCMCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-2-3-10(13)9(6-8)12(17)15-5-4-14-11(16)7-15/h2-3,6H,4-5,7,13H2,1H3,(H,14,16).
What are the key properties of 4-(2-amino-5-methylbenzoyl)piperazin-2-one?
4-(2-amino-5-methylbenzoyl)piperazin-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylbenzoyl)piperazin-2-one is sourced from PubChem (CID 62510710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).