2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide

C14H22N4O — CID 83023670

IUPAC2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
SMILESCC1CCCC(C)N1Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H22N4O/c1-9-4-3-5-10(2)18(9)17-11-6-7-13(15)12(8-11)14(16)19/h6-10,17H,3-5,15H2,1-2H3,(H2,16,19)
InChIKeyKRMNOPCYOIMZMS-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.96
Rot. Bonds3

About 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide

2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide (PubChem CID 83023670) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide.

Molecular Properties

Compound Name2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
PubChem CID83023670
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
SMILESCC1CCCC(C)N1Nc1ccc(N)c(C(N)=O)c1
InChIInChI=1S/C14H22N4O/c1-9-4-3-5-10(2)18(9)17-11-6-7-13(15)12(8-11)14(16)19/h6-10,17H,3-5,15H2,1-2H3,(H2,16,19)
InChIKeyKRMNOPCYOIMZMS-UHFFFAOYSA-N
XLogP1.96
TPSA84.38 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 ≤ 51.96
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-[(2,6-dimethylpiperidin-1-yl)amino]pyridine-2-carboxamide
CID 83026708
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
CID 102624597
4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid
CID 83016312
2-amino-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzamide
CID 114165297
6-[(2,6-dimethylpiperidin-1-yl)amino]pyridazine-3-carboxamide
CID 83026892
2-amino-5-[(3-ethylcyclohexyl)amino]benzamide
CID 64743019
2-amino-5-(methanesulfonamido)benzamide
CID 59583438
2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
CID 153382110
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
methyl 3-amino-2-[(2,6-dimethylpiperidin-1-yl)amino]benzoate
CID 115935474
2-amino-5-(4-bromoanilino)benzamide
CID 61306724

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide?
The IUPAC name of 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide (CID 83023670) is 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide.
What is the SMILES notation for 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide?
The canonical SMILES for 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide is CC1CCCC(C)N1Nc1ccc(N)c(C(N)=O)c1.
What is the InChIKey of 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide?
The InChIKey is KRMNOPCYOIMZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-9-4-3-5-10(2)18(9)17-11-6-7-13(15)12(8-11)14(16)19/h6-10,17H,3-5,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide?
2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide is sourced from PubChem (CID 83023670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).