3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide

C16H26N4O — CID 82991708

IUPAC3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
SMILESCCN1CCC(N(C)c2ccc(C(=O)NC)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-4-20-9-7-13(8-10-20)19(3)15-6-5-12(11-14(15)17)16(21)18-2/h5-6,11,13H,4,7-10,17H2,1-3H3,(H,18,21)
InChIKeyYGCCLWOYKPIDPZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide

3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide (PubChem CID 82991708) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
PubChem CID82991708
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide
SMILESCCN1CCC(N(C)c2ccc(C(=O)NC)cc2N)CC1
InChIInChI=1S/C16H26N4O/c1-4-20-9-7-13(8-10-20)19(3)15-6-5-12(11-14(15)17)16(21)18-2/h5-6,11,13H,4,7-10,17H2,1-3H3,(H,18,21)
InChIKeyYGCCLWOYKPIDPZ-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-N-methyl-4-[methyl(oxan-4-yl)amino]benzamide
CID 82989264
1-N-(1-ethylpiperidin-4-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 55004013
3-amino-4-[cyclopropyl(ethyl)amino]-N-methylbenzamide
CID 82988974
3-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N-methylbenzamide
CID 82992382
3-amino-4-[cyclopropyl(propyl)amino]-N-methylbenzamide
CID 82989186
3-amino-4-[(2-hydroxycyclohexyl)-methylamino]-N-methylbenzamide
CID 102631347
3-amino-N-methyl-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzamide
CID 82991957
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
3-amino-4-[cyclopropyl(methyl)amino]benzamide
CID 43448462
3-amino-4-[cyclohexyl(methyl)amino]benzoic acid
CID 54888169
3-amino-N-(1-ethylpiperidin-4-yl)-4-fluoro-N-methylbenzamide
CID 43574421
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide?
The IUPAC name of 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide (CID 82991708) is 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide?
The canonical SMILES for 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide is CCN1CCC(N(C)c2ccc(C(=O)NC)cc2N)CC1.
What is the InChIKey of 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide?
The InChIKey is YGCCLWOYKPIDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-20-9-7-13(8-10-20)19(3)15-6-5-12(11-14(15)17)16(21)18-2/h5-6,11,13H,4,7-10,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide?
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-N-methylbenzamide is sourced from PubChem (CID 82991708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).