3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride

C16H27Cl2N3O — CID 119887818

IUPAC3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
SMILESCCC1CCCCN1CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-15-8-3-4-10-19(15)11-9-18-16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,2-4,8-11,17H2,1H3,(H,18,20);2*1H
InChIKeySLNKQJLOEGTAJO-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride

3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119887818) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
PubChem CID119887818
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
SMILESCCC1CCCCN1CCNC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-2-15-8-3-4-10-19(15)11-9-18-16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,2-4,8-11,17H2,1H3,(H,18,20);2*1H
InChIKeySLNKQJLOEGTAJO-UHFFFAOYSA-N
XLogP3.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.11
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

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CID 119850953
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CID 119834336
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
N-[3-(2-ethylpiperidin-1-yl)propyl]-3,4-dimethylbenzamide
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(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
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3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]pyridine-3-carboxamide
CID 100629368
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
N-[3-(2-ethylpiperidin-1-yl)propyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 132672994
3-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]benzamide;dihydrochloride
CID 119885053

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride (CID 119887818) is 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride is CCC1CCCCN1CCNC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is SLNKQJLOEGTAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-2-15-8-3-4-10-19(15)11-9-18-16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,2-4,8-11,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride?
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119887818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).