4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one

C13H17N3O2 — CID 64682560

IUPAC4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1cccc(N)c1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C13H17N3O2/c1-9-4-3-5-10(14)12(9)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8,14H2,1-2H3
InChIKeyKYVNQRVQERGOPJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.49
Rot. Bonds1

About 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one

4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one (PubChem CID 64682560) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
PubChem CID64682560
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1cccc(N)c1C(=O)N1CCN(C)C(=O)C1
InChIInChI=1S/C13H17N3O2/c1-9-4-3-5-10(14)12(9)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8,14H2,1-2H3
InChIKeyKYVNQRVQERGOPJ-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-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
(2-amino-6-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 16792662
4-(3-amino-2,6-difluorobenzoyl)-1-methylpiperazin-2-one
CID 79773177
4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
CID 104917774
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(2-amino-6-methylphenyl)-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone
CID 63013707
4-(2-amino-6-ethoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888141
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
CID 64682976
(2-amino-6-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210103
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
(2-amino-6-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61116229

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one (CID 64682560) is 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one is Cc1cccc(N)c1C(=O)N1CCN(C)C(=O)C1.
What is the InChIKey of 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one?
The InChIKey is KYVNQRVQERGOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-4-3-5-10(14)12(9)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8,14H2,1-2H3.
What are the key properties of 4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one?
4-(2-amino-6-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-6-methylbenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64682560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).