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

C16H27Cl2N3O — CID 119894091

IUPAC3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
SMILESCN(CCC1CCCCN1C)C(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18-10-4-3-8-15(18)9-11-19(2)16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,3-4,8-11,17H2,1-2H3;2*1H
InChIKeyFWBQXHZDCORGML-UHFFFAOYSA-N
MW348.32 g/mol
LogP3.06
Rot. Bonds4

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

3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119894091) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
PubChem CID119894091
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride
SMILESCN(CCC1CCCCN1C)C(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18-10-4-3-8-15(18)9-11-19(2)16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,3-4,8-11,17H2,1-2H3;2*1H
InChIKeyFWBQXHZDCORGML-UHFFFAOYSA-N
XLogP3.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 115160809
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
3-amino-N-(cyclopropylmethyl)-N-methylbenzamide
CID 60947602
3-amino-N-methyl-N-propylbenzamide
CID 43270761
3-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]benzamide;dihydrochloride
CID 119887818
3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]benzenecarbothioamide
CID 107912225
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 71983912
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
CID 119894079
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
[2-(3-aminophenyl)phenyl]-[2-(1-methylpyrrolidin-2-yl)ethyl]carbamic acid
CID 121411267

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride (CID 119894091) is 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride is CN(CCC1CCCCN1C)C(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is FWBQXHZDCORGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-18-10-4-3-8-15(18)9-11-19(2)16(20)13-6-5-7-14(17)12-13;;/h5-7,12,15H,3-4,8-11,17H2,1-2H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride?
3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119894091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).