4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one

C13H17N3O3 — CID 81091850

IUPAC4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cc(N)cc(C(=O)N2CCNC(=O)C2C)c1
InChIInChI=1S/C13H17N3O3/c1-8-12(17)15-3-4-16(8)13(18)9-5-10(14)7-11(6-9)19-2/h5-8H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyJQHXXRQGJWVNDH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.24
Rot. Bonds2

About 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one

4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one (PubChem CID 81091850) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one
PubChem CID81091850
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one
SMILESCOc1cc(N)cc(C(=O)N2CCNC(=O)C2C)c1
InChIInChI=1S/C13H17N3O3/c1-8-12(17)15-3-4-16(8)13(18)9-5-10(14)7-11(6-9)19-2/h5-8H,3-4,14H2,1-2H3,(H,15,17)
InChIKeyJQHXXRQGJWVNDH-UHFFFAOYSA-N
XLogP0.24
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.24
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-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
3-methyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-2-one
CID 63091999
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-(2,3-dihydro-1H-indole-5-carbonyl)-3-methylpiperazin-2-one
CID 63606218
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
(3R)-3-methyl-4-(4-phenylbenzoyl)piperazin-2-one
CID 25283888
(3-amino-5-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092592
4-(2-fluoropyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 55219534
3-amino-5-methoxy-N-(2-oxopiperidin-3-yl)benzamide
CID 81090911
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
(3-amino-5-methoxyphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 81091094

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one (CID 81091850) is 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one is COc1cc(N)cc(C(=O)N2CCNC(=O)C2C)c1.
What is the InChIKey of 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one?
The InChIKey is JQHXXRQGJWVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-12(17)15-3-4-16(8)13(18)9-5-10(14)7-11(6-9)19-2/h5-8H,3-4,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one?
4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-methoxybenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 81091850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).