4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one

C13H17N3O3 — CID 104782996

IUPAC4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCN(C)C(=O)C2)ccc1N
InChIInChI=1S/C13H17N3O3/c1-15-5-6-16(8-12(15)17)13(18)9-3-4-10(14)11(7-9)19-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyVHDWARUNDINYJN-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.19
Rot. Bonds2

About 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one

4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one (PubChem CID 104782996) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
PubChem CID104782996
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one
SMILESCOc1cc(C(=O)N2CCN(C)C(=O)C2)ccc1N
InChIInChI=1S/C13H17N3O3/c1-15-5-6-16(8-12(15)17)13(18)9-3-4-10(14)11(7-9)19-2/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyVHDWARUNDINYJN-UHFFFAOYSA-N
XLogP0.19
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-chlorobenzoyl)-1-methylpiperazin-2-one
CID 64682228
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(4-amino-3-methoxyphenyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 104782923
(4-amino-3-methoxyphenyl)-(3,3-dimethylpiperidin-1-yl)methanone
CID 104782959
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
4-(2-bromopyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 103755533
4-(2-fluoropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 64680303
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
1-methyl-4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107030966
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
(4-amino-3-methoxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 90103540

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one (CID 104782996) is 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one is COc1cc(C(=O)N2CCN(C)C(=O)C2)ccc1N.
What is the InChIKey of 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one?
The InChIKey is VHDWARUNDINYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-5-6-16(8-12(15)17)13(18)9-3-4-10(14)11(7-9)19-2/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one?
4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxybenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 104782996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).