3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide

C17H27N3O — CID 82167845

IUPAC3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCCCC2CC)c(N)c1
InChIInChI=1S/C17H27N3O/c1-3-15-7-5-6-10-20(15)12-14-9-8-13(11-16(14)18)17(21)19-4-2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyYWLBTLBQECOFPX-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.78
Rot. Bonds5

About 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide

3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide (PubChem CID 82167845) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
PubChem CID82167845
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
SMILESCCNC(=O)c1ccc(CN2CCCCC2CC)c(N)c1
InChIInChI=1S/C17H27N3O/c1-3-15-7-5-6-10-20(15)12-14-9-8-13(11-16(14)18)17(21)19-4-2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21)
InChIKeyYWLBTLBQECOFPX-UHFFFAOYSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-4-[(2-ethylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167860
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
ethyl 3-amino-4-[(2-ethylpiperidin-1-yl)methyl]benzoate
CID 82165894
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-4-[(2,6-dimethylpiperidin-1-yl)methyl]-N-ethylbenzamide
CID 82167848
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
CID 133167577
3-[(2-ethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide (CID 82167845) is 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide is CCNC(=O)c1ccc(CN2CCCCC2CC)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide?
The InChIKey is YWLBTLBQECOFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-15-7-5-6-10-20(15)12-14-9-8-13(11-16(14)18)17(21)19-4-2/h8-9,11,15H,3-7,10,12,18H2,1-2H3,(H,19,21).
What are the key properties of 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide?
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 82167845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).