2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

C14H22N4O — CID 61092236

IUPAC2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-5-11(6-8-17)18(2)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8,15-16H2,1-2H3
InChIKeyPAFKMJYHWQUOFG-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.02
Rot. Bonds2

About 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide

2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 61092236) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID61092236
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C14H22N4O/c1-17-7-5-11(6-8-17)18(2)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8,15-16H2,1-2H3
InChIKeyPAFKMJYHWQUOFG-UHFFFAOYSA-N
XLogP1.02
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 61105123
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-amino-4,5-dimethoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 82183835
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
5-amino-N-methyl-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 81318919
4-amino-2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61139107
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
2-amino-3-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110451168
2,4-diamino-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514867

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide (CID 61092236) is 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is PAFKMJYHWQUOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-7-5-11(6-8-17)18(2)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11H,5-8,15-16H2,1-2H3.
What are the key properties of 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide?
2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 262.36 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-methyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61092236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).