3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide

C16H26N4O — CID 63233133

IUPAC3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
SMILESCN1CCC(CN(C)Cc2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-19-7-5-12(6-8-19)10-20(2)11-14-4-3-13(16(18)21)9-15(14)17/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H2,18,21)
InChIKeyACQBIJUHYPBERA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide

3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide (PubChem CID 63233133) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
PubChem CID63233133
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
SMILESCN1CCC(CN(C)Cc2ccc(C(N)=O)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-19-7-5-12(6-8-19)10-20(2)11-14-4-3-13(16(18)21)9-15(14)17/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H2,18,21)
InChIKeyACQBIJUHYPBERA-UHFFFAOYSA-N
XLogP1.14
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.14
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

1-[4-hydroxy-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenyl]ethanone
CID 63236813
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
1-[4-hydroxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]ethanone
CID 63274058
3-fluoro-4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzenecarbothioamide
CID 63275566
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
3-amino-4-ethylbenzamide
CID 19977641

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide?
The IUPAC name of 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide (CID 63233133) is 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide.
What is the SMILES notation for 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide?
The canonical SMILES for 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide is CN1CCC(CN(C)Cc2ccc(C(N)=O)cc2N)CC1.
What is the InChIKey of 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide?
The InChIKey is ACQBIJUHYPBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-19-7-5-12(6-8-19)10-20(2)11-14-4-3-13(16(18)21)9-15(14)17/h3-4,9,12H,5-8,10-11,17H2,1-2H3,(H2,18,21).
What are the key properties of 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide?
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide is sourced from PubChem (CID 63233133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).