3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide

C17H27N3O — CID 82167848

IUPAC3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN2C(C)CCCC2C)c(N)c1
InChIInChI=1S/C17H27N3O/c1-4-19-17(21)14-8-9-15(16(18)10-14)11-20-12(2)6-5-7-13(20)3/h8-10,12-13H,4-7,11,18H2,1-3H3,(H,19,21)
InChIKeyPSGLOLIPTCYGOQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.78
Rot. Bonds4

About 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide

3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide (PubChem CID 82167848) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
PubChem CID82167848
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CN2C(C)CCCC2C)c(N)c1
InChIInChI=1S/C17H27N3O/c1-4-19-17(21)14-8-9-15(16(18)10-14)11-20-12(2)6-5-7-13(20)3/h8-10,12-13H,4-7,11,18H2,1-3H3,(H,19,21)
InChIKeyPSGLOLIPTCYGOQ-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
methyl 3-bromo-4-[(2,6-dimethylpiperidin-1-yl)methyl]benzoate
CID 102766971
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-amino-N-ethyl-4-[(2-methylcyclopropyl)amino]benzamide
CID 82999769
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
4-amino-3-(cyclohexylmethoxy)-N-ethylbenzamide
CID 63358647
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide (CID 82167848) is 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CN2C(C)CCCC2C)c(N)c1.
What is the InChIKey of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide?
The InChIKey is PSGLOLIPTCYGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19-17(21)14-8-9-15(16(18)10-14)11-20-12(2)6-5-7-13(20)3/h8-10,12-13H,4-7,11,18H2,1-3H3,(H,19,21).
What are the key properties of 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide?
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 82167848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).