2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide

C14H19N3O3 — CID 114694987

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCNC1C
InChIInChI=1S/C14H19N3O3/c1-9-8-11(17(19)20)5-6-12(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)
InChIKeyYOQBBTCIYZJXFH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide

2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide (PubChem CID 114694987) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
PubChem CID114694987
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
SMILESCc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCNC1C
InChIInChI=1S/C14H19N3O3/c1-9-8-11(17(19)20)5-6-12(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)
InChIKeyYOQBBTCIYZJXFH-UHFFFAOYSA-N
XLogP1.77
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.77
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'}

Analyze 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
N-(2-chlorocyclohexyl)-2-methyl-4-nitrobenzamide
CID 114301360
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
CID 120574886
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
5-(diethylsulfamoyl)-2-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577294
N-(2-hydroxycyclohexyl)-2-methyl-5-nitrobenzamide
CID 62361086
2,3-dimethyl-N-(2-methylpiperidin-3-yl)benzamide
CID 79042389
N-[2-(hydroxymethyl)cyclopentyl]-2-methyl-5-nitrobenzamide
CID 103751423
N-(2-methylpiperidin-3-yl)-2-(4-nitrophenyl)sulfanylpropanamide;hydrochloride
CID 120576059
N-(2-chlorocyclopentyl)-2-methyl-5-nitrobenzamide
CID 114189376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide (CID 114694987) is 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide is Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCCNC1C.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide?
The InChIKey is YOQBBTCIYZJXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9-8-11(17(19)20)5-6-12(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).
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide?
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 1.77, 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)-4-nitrobenzamide is sourced from PubChem (CID 114694987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).