2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride

C13H21Cl2N3O — CID 119946137

IUPAC2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16-8-6-10(7-9-16)15-13(17)11-4-2-3-5-12(11)14;;/h2-5,10H,6-9,14H2,1H3,(H,15,17);2*1H
InChIKeyGJTHHXRSOWBKBY-UHFFFAOYSA-N
MW306.24 g/mol
LogP1.94
Rot. Bonds2

About 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride

2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 119946137) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID119946137
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl
InChIInChI=1S/C13H19N3O.2ClH/c1-16-8-6-10(7-9-16)15-13(17)11-4-2-3-5-12(11)14;;/h2-5,10H,6-9,14H2,1H3,(H,15,17);2*1H
InChIKeyGJTHHXRSOWBKBY-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 51.94
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-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
2-amino-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 61213391
4-amino-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 81236133
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
2-amino-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide;hydrochloride
CID 119945720
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655074
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
8-bromo-N-(1-methylpiperidin-4-yl)naphthalene-1-carboxamide
CID 171661881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride (CID 119946137) is 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride is CN1CCC(NC(=O)c2ccccc2N)CC1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is GJTHHXRSOWBKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.2ClH/c1-16-8-6-10(7-9-16)15-13(17)11-4-2-3-5-12(11)14;;/h2-5,10H,6-9,14H2,1H3,(H,15,17);2*1H.
What are the key properties of 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride?
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 306.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119946137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).