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

C16H26N4O — CID 61105123

IUPAC2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)20-8-6-13(7-9-20)19(3)16(21)14-5-4-12(17)10-15(14)18/h4-5,10-11,13H,6-9,17-18H2,1-3H3
InChIKeySDRIOMHUHAZKJW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.80
Rot. Bonds3

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

2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (PubChem CID 61105123) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
PubChem CID61105123
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-11(2)20-8-6-13(7-9-20)19(3)16(21)14-5-4-12(17)10-15(14)18/h4-5,10-11,13H,6-9,17-18H2,1-3H3
InChIKeySDRIOMHUHAZKJW-UHFFFAOYSA-N
XLogP1.80
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.80
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-methylpiperidin-4-yl)benzamide
CID 61092236
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-fluoro-N,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 62510083
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
CID 106853405
4-amino-2-chloro-N-cyclopropyl-N-methylbenzamide;hydrochloride
CID 119722181
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380476
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64523858
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The IUPAC name of 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide (CID 61105123) is 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide is CC(C)N1CCC(N(C)C(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
The InChIKey is SDRIOMHUHAZKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)20-8-6-13(7-9-20)19(3)16(21)14-5-4-12(17)10-15(14)18/h4-5,10-11,13H,6-9,17-18H2,1-3H3.
What are the key properties of 2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide?
2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.80, 3 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-propan-2-ylpiperidin-4-yl)benzamide is sourced from PubChem (CID 61105123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).