3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide

C15H24N4O — CID 83000233

IUPAC3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCN(C)C(C)C2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-10-8-12(6-7-19(10)3)18-14-5-4-11(9-13(14)16)15(20)17-2/h4-5,9-10,12,18H,6-8,16H2,1-3H3,(H,17,20)
InChIKeyWSQZRAIHIDYBII-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds3

About 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide

3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide (PubChem CID 83000233) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide
PubChem CID83000233
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCN(C)C(C)C2)c(N)c1
InChIInChI=1S/C15H24N4O/c1-10-8-12(6-7-19(10)3)18-14-5-4-11(9-13(14)16)15(20)17-2/h4-5,9-10,12,18H,6-8,16H2,1-3H3,(H,17,20)
InChIKeyWSQZRAIHIDYBII-UHFFFAOYSA-N
XLogP1.52
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
3-amino-4-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 54887632
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-4-[(3,4-dimethylcyclohexyl)amino]benzamide
CID 64738505
5-amino-6-[(1,2-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114407308
4-(cyclopropylamino)-N-methyl-3-sulfamoylbenzamide
CID 67530085
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-amino-N-methyl-4-(2-pyrrolidin-1-ylethylamino)benzamide
CID 82988789
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
2-bromo-4-[(1,2-dimethylpiperidin-4-yl)amino]-3-fluorobenzoic acid
CID 107540427
3-amino-4-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64732070

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide (CID 83000233) is 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC2CCN(C)C(C)C2)c(N)c1.
What is the InChIKey of 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide?
The InChIKey is WSQZRAIHIDYBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-8-12(6-7-19(10)3)18-14-5-4-11(9-13(14)16)15(20)17-2/h4-5,9-10,12,18H,6-8,16H2,1-3H3,(H,17,20).
What are the key properties of 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide?
3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 83000233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).