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

C16H26N4O — CID 82991957

IUPAC3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
SMILESCNC(=O)c1ccc(N(C)CC2CCN(C)CC2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-18-16(21)13-4-5-15(14(17)10-13)20(3)11-12-6-8-19(2)9-7-12/h4-5,10,12H,6-9,11,17H2,1-3H3,(H,18,21)
InChIKeyKLFDEAPFNBBMKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.41
Rot. Bonds4

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

3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide (PubChem CID 82991957) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
PubChem CID82991957
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
SMILESCNC(=O)c1ccc(N(C)CC2CCN(C)CC2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-18-16(21)13-4-5-15(14(17)10-13)20(3)11-12-6-8-19(2)9-7-12/h4-5,10,12H,6-9,11,17H2,1-3H3,(H,18,21)
InChIKeyKLFDEAPFNBBMKR-UHFFFAOYSA-N
XLogP1.41
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.41
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

3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
3-amino-4-[2-(cyclopropylmethoxy)ethyl-methylamino]-N-methylbenzamide
CID 82999655
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
CID 82991708
3-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-N-methylbenzamide
CID 105414144
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
methyl 3-amino-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzoate
CID 79312975
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
4-amino-N-methyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 63357031
3-amino-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzamide
CID 63233133
3-amino-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide?
The IUPAC name of 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide (CID 82991957) is 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide?
The canonical SMILES for 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide is CNC(=O)c1ccc(N(C)CC2CCN(C)CC2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide?
The InChIKey is KLFDEAPFNBBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-18-16(21)13-4-5-15(14(17)10-13)20(3)11-12-6-8-19(2)9-7-12/h4-5,10,12H,6-9,11,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide?
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide is sourced from PubChem (CID 82991957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).