3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide

C13H20N4O — CID 61094399

IUPAC3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(N)cc(N)c2)CC1
InChIInChI=1S/C13H20N4O/c1-17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,14-15H2,1H3,(H,16,18)
InChIKeyPGPCPQVAYIRSEL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.68
Rot. Bonds2

About 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide

3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 61094399) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID61094399
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(N)cc(N)c2)CC1
InChIInChI=1S/C13H20N4O/c1-17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,14-15H2,1H3,(H,16,18)
InChIKeyPGPCPQVAYIRSEL-UHFFFAOYSA-N
XLogP0.68
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.68
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

3,5-diamino-N-cyclooctylbenzamide
CID 61092511
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062
3,5-diamino-N-(3-methylcyclopentyl)benzamide
CID 114542578
N-(1-methylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110466807
3-amino-N-cyclohexyl-5-methylbenzamide
CID 113396098

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide (CID 61094399) is 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cc(N)cc(N)c2)CC1.
What is the InChIKey of 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is PGPCPQVAYIRSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-4-2-12(3-5-17)16-13(18)9-6-10(14)8-11(15)7-9/h6-8,12H,2-5,14-15H2,1H3,(H,16,18).
What are the key properties of 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide?
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 248.33 g/mol, XLogP of 0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61094399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).