4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide

C14H22N4O — CID 63357031

IUPAC4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(N)c(NC2CCN(C)CC2)c1
InChIInChI=1S/C14H22N4O/c1-16-14(19)10-3-4-12(15)13(9-10)17-11-5-7-18(2)8-6-11/h3-4,9,11,17H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyISJGWPVAWFQCNI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.13
Rot. Bonds3

About 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide

4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide (PubChem CID 63357031) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
PubChem CID63357031
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
SMILESCNC(=O)c1ccc(N)c(NC2CCN(C)CC2)c1
InChIInChI=1S/C14H22N4O/c1-16-14(19)10-3-4-12(15)13(9-10)17-11-5-7-18(2)8-6-11/h3-4,9,11,17H,5-8,15H2,1-2H3,(H,16,19)
InChIKeyISJGWPVAWFQCNI-UHFFFAOYSA-N
XLogP1.13
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.13
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

4-amino-3-[(4-ethylcyclohexyl)amino]-N-methylbenzamide
CID 63357473
3-amino-4-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 54887632
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
3-amino-4-[(1,2-dimethylpiperidin-4-yl)amino]-N-methylbenzamide
CID 83000233
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide (CID 63357031) is 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide is CNC(=O)c1ccc(N)c(NC2CCN(C)CC2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
The InChIKey is ISJGWPVAWFQCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16-14(19)10-3-4-12(15)13(9-10)17-11-5-7-18(2)8-6-11/h3-4,9,11,17H,5-8,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide?
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide is sourced from PubChem (CID 63357031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).