2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide

C15H24N4O — CID 107162906

IUPAC2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H24N4O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-4-3-11(16)9-13(12)17/h3-4,9H,5-8,10,16-17H2,1-2H3,(H,18,20)
InChIKeySZJJADINWURGIU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.31
Rot. Bonds3

About 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide

2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide (PubChem CID 107162906) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
PubChem CID107162906
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(C)(CNC(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C15H24N4O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-4-3-11(16)9-13(12)17/h3-4,9H,5-8,10,16-17H2,1-2H3,(H,18,20)
InChIKeySZJJADINWURGIU-UHFFFAOYSA-N
XLogP1.31
TPSA84.38 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 ≤ 51.31
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

2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide
CID 107163921
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162857
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
4-carbamothioyl-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107164094
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162922
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867
4-amino-2-chloro-N-[(1-methylcyclopentyl)methyl]benzamide;hydrochloride
CID 119780555
2,4-diamino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103965171

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide (CID 107162906) is 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide is CN1CCC(C)(CNC(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
The InChIKey is SZJJADINWURGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-4-3-11(16)9-13(12)17/h3-4,9H,5-8,10,16-17H2,1-2H3,(H,18,20).
What are the key properties of 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide?
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide has a molecular weight of 276.38 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 107162906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).