2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride

C16H27Cl2N3O — CID 119946563

IUPAC2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
SMILESCC1CCCN(C(C)CNC(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17;;/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyJEZYWUILXIVBIY-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride

2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride (PubChem CID 119946563) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
PubChem CID119946563
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
SMILESCC1CCCN(C(C)CNC(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17;;/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3,(H,18,20);2*1H
InChIKeyJEZYWUILXIVBIY-UHFFFAOYSA-N
XLogP2.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.96
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

2-bromo-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036181
3-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 119850765
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
2-chloro-4-fluoro-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 98720791
2-chloro-4-fluoro-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 47036175
3-amino-2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]-3-phenylpropanamide
CID 119850745
4-bromo-3,5-dimethoxy-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717834
2-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide;dihydrochloride
CID 119946151
1-(4-hydroxy-2-phenylbutyl)-3-[2-(3-methylpiperidin-1-yl)propyl]urea
CID 111450668
3-(methoxymethyl)-N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 100850955
N-[(2R)-2-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazine-2-carboxamide
CID 98720786
3,4,5-trimethoxy-N-[(2R)-2-[(3S)-3-methylpiperidin-1-yl]propyl]-2-nitrobenzamide
CID 94867137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride (CID 119946563) is 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride is CC1CCCN(C(C)CNC(=O)c2ccccc2N)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The InChIKey is JEZYWUILXIVBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-6-5-9-19(11-12)13(2)10-18-16(20)14-7-3-4-8-15(14)17;;/h3-4,7-8,12-13H,5-6,9-11,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).