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

C16H26N4O — CID 82989904

IUPAC3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-3-18-16(21)13-6-7-15(14(17)9-13)19-10-12-5-4-8-20(2)11-12/h6-7,9,12,19H,3-5,8,10-11,17H2,1-2H3,(H,18,21)
InChIKeyXUWFOUVKSTXQFY-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.77
Rot. Bonds5

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

3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 82989904) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID82989904
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(NCC2CCCN(C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-3-18-16(21)13-6-7-15(14(17)9-13)19-10-12-5-4-8-20(2)11-12/h6-7,9,12,19H,3-5,8,10-11,17H2,1-2H3,(H,18,21)
InChIKeyXUWFOUVKSTXQFY-UHFFFAOYSA-N
XLogP1.77
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.77
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

N-ethyl-3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62657161
3-amino-N,N-dimethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82990765
3-amino-N-ethyl-4-(oxan-4-ylmethylamino)benzamide
CID 83000421
3-amino-N-ethyl-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 82990424
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62656715
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-bromo-4-[(1-methylpiperidin-3-yl)methylamino]benzoic acid
CID 82801301
3-amino-N-methyl-4-[(1-methylpiperidin-3-yl)amino]benzamide
CID 82988709
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
methyl 3-amino-4-(cyclobutylmethylamino)benzoate
CID 61307905
3-amino-N-ethyl-4-(2-thiomorpholin-4-ylethylamino)benzamide
CID 106324843

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 82989904) is 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is CCNC(=O)c1ccc(NCC2CCCN(C)C2)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is XUWFOUVKSTXQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-18-16(21)13-6-7-15(14(17)9-13)19-10-12-5-4-8-20(2)11-12/h6-7,9,12,19H,3-5,8,10-11,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide?
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 290.41 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 82989904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).