4-(2-amino-6-methoxybenzoyl)piperazin-2-one

C12H15N3O3 — CID 81410266

IUPAC4-(2-amino-6-methoxybenzoyl)piperazin-2-one
SMILESCOc1cccc(N)c1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-18-9-4-2-3-8(13)11(9)12(17)15-6-5-14-10(16)7-15/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyPVJKCLOGDHOLRR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.15
Rot. Bonds2

About 4-(2-amino-6-methoxybenzoyl)piperazin-2-one

4-(2-amino-6-methoxybenzoyl)piperazin-2-one (PubChem CID 81410266) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 4-(2-amino-6-methoxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-amino-6-methoxybenzoyl)piperazin-2-one
PubChem CID81410266
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name4-(2-amino-6-methoxybenzoyl)piperazin-2-one
SMILESCOc1cccc(N)c1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C12H15N3O3/c1-18-9-4-2-3-8(13)11(9)12(17)15-6-5-14-10(16)7-15/h2-4H,5-7,13H2,1H3,(H,14,16)
InChIKeyPVJKCLOGDHOLRR-UHFFFAOYSA-N
XLogP-0.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3,4-trimethoxybenzoyl)piperazin-2-one
CID 31096069
(2-amino-6-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81420206
4-(2-hydroxy-3-methoxybenzoyl)-1,4-diazepan-2-one
CID 62896513
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
(2-amino-6-methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 81395584
4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
CID 154787003
(2-amino-6-methoxyphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 81394866
(2-amino-6-methoxyphenyl)-(1,4-thiazepan-4-yl)methanone
CID 81420652
4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
CID 63117488
4-(3-ethoxy-4-methoxybenzoyl)piperazin-2-one
CID 31095647
4-(2,6-dimethylbenzoyl)-1,4-diazepan-2-one
CID 113258340

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methoxybenzoyl)piperazin-2-one?
The IUPAC name of 4-(2-amino-6-methoxybenzoyl)piperazin-2-one (CID 81410266) is 4-(2-amino-6-methoxybenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(2-amino-6-methoxybenzoyl)piperazin-2-one?
The canonical SMILES for 4-(2-amino-6-methoxybenzoyl)piperazin-2-one is COc1cccc(N)c1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-amino-6-methoxybenzoyl)piperazin-2-one?
The InChIKey is PVJKCLOGDHOLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-9-4-2-3-8(13)11(9)12(17)15-6-5-14-10(16)7-15/h2-4H,5-7,13H2,1H3,(H,14,16).
What are the key properties of 4-(2-amino-6-methoxybenzoyl)piperazin-2-one?
4-(2-amino-6-methoxybenzoyl)piperazin-2-one has a molecular weight of 249.27 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methoxybenzoyl)piperazin-2-one is sourced from PubChem (CID 81410266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).