2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride

C14H20ClN3O3 — CID 120577307

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-5-6-11(17(19)20)8-12(9)14(18)16-13-4-3-7-15-10(13)2;/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18);1H
InChIKeyXWBWVKPVYOVJHV-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.20
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride

2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride (PubChem CID 120577307) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
PubChem CID120577307
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
SMILESCc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C14H19N3O3.ClH/c1-9-5-6-11(17(19)20)8-12(9)14(18)16-13-4-3-7-15-10(13)2;/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18);1H
InChIKeyXWBWVKPVYOVJHV-UHFFFAOYSA-N
XLogP2.20
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
CID 120574886
N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
2-methyl-N-(2-methylpiperidin-3-yl)-5-methylsulfanylbenzamide;hydrochloride
CID 120574172
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576695
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-5-nitrobenzamide;hydrochloride
CID 119455692
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride (CID 120577307) is 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride is Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride?
The InChIKey is XWBWVKPVYOVJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c1-9-5-6-11(17(19)20)8-12(9)14(18)16-13-4-3-7-15-10(13)2;/h5-6,8,10,13,15H,3-4,7H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride?
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120577307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).