4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one

C13H17N3O2 — CID 64682422

IUPAC4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1ccc(N)c(C(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyHOSVASJUAJQOFF-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.49
Rot. Bonds1

About 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one

4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one (PubChem CID 64682422) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
PubChem CID64682422
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1ccc(N)c(C(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H17N3O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyHOSVASJUAJQOFF-UHFFFAOYSA-N
XLogP0.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(2-amino-5-methoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888081
(2-amino-5-methylphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 55249335
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
ethyl 4-(2-amino-5-methylbenzoyl)piperazine-1-carboxylate
CID 62075004
4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
CID 64682126
4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682560
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
CID 104782996
4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one (CID 64682422) is 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one is Cc1ccc(N)c(C(=O)N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one?
The InChIKey is HOSVASJUAJQOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one?
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).