4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

C14H19N3O3 — CID 63596087

IUPAC4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1N
InChIInChI=1S/C14H19N3O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-11(20-3)10(15)8-9/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyBVNNVNRHLFPNEH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds2

About 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one

4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63596087) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
PubChem CID63596087
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1N
InChIInChI=1S/C14H19N3O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-11(20-3)10(15)8-9/h4-5,8H,6-7,15H2,1-3H3,(H,16,19)
InChIKeyBVNNVNRHLFPNEH-UHFFFAOYSA-N
XLogP0.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
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-methoxy-4-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362140
4-(4-fluoro-3-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 81005031
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66076073
3,3-dimethyl-4-(3,4,5-trimethoxybenzoyl)piperazin-2-one
CID 16863762
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-(4-amino-3-nitrobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63602844
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
4-(2,5-dimethoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863923
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
4-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)benzenecarbothioamide
CID 63606089
4-(3-amino-4,5-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63595395
4-(1,3-dihydro-2-benzofuran-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 63744029

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one (CID 63596087) is 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is COc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1N.
What is the InChIKey of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is BVNNVNRHLFPNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2)13(19)16-6-7-17(14)12(18)9-4-5-11(20-3)10(15)8-9/h4-5,8H,6-7,15H2,1-3H3,(H,16,19).
What are the key properties of 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one?
4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 277.32 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63596087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).