5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride

C14H20ClN3O4 — CID 120601078

IUPAC5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H19N3O4.ClH/c1-9-7-10(5-6-15-9)16-14(18)12-8-11(21-2)3-4-13(12)17(19)20;/h3-4,8-10,15H,5-7H2,1-2H3,(H,16,18);1H
InChIKeyDXRQUAYAFRBVQP-UHFFFAOYSA-N
MW329.78 g/mol
LogP1.90
Rot. Bonds4

About 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride

5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride (PubChem CID 120601078) has the molecular formula C14H20ClN3O4 and a molecular weight of 329.78 g/mol. Its IUPAC name is 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride.

Molecular Properties

Compound Name5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
PubChem CID120601078
Molecular FormulaC14H20ClN3O4
Molecular Weight329.78 g/mol
Exact Mass329.11
IUPAC Name5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCNC(C)C2)c1.Cl
InChIInChI=1S/C14H19N3O4.ClH/c1-9-7-10(5-6-15-9)16-14(18)12-8-11(21-2)3-4-13(12)17(19)20;/h3-4,8-10,15H,5-7H2,1-2H3,(H,16,18);1H
InChIKeyDXRQUAYAFRBVQP-UHFFFAOYSA-N
XLogP1.90
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride 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-hydroxy-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995573
2-iodo-4-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120600382
2-methyl-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120602042
3-methyl-N-(2-methylpiperidin-4-yl)-4-nitrobenzamide;hydrochloride
CID 120601410
2-(3-methoxy-4-nitrophenoxy)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120600849
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
2,6-difluoro-N-(2-methylpiperidin-4-yl)-3-nitrobenzamide
CID 106995174
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
2-(3-methoxyphenyl)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120601993
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-(2-methylpiperidin-4-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 120600819
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride?
The IUPAC name of 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride (CID 120601078) is 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride.
What is the SMILES notation for 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride?
The canonical SMILES for 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride is COc1ccc([N+](=O)[O-])c(C(=O)NC2CCNC(C)C2)c1.Cl.
What is the InChIKey of 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride?
The InChIKey is DXRQUAYAFRBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4.ClH/c1-9-7-10(5-6-15-9)16-14(18)12-8-11(21-2)3-4-13(12)17(19)20;/h3-4,8-10,15H,5-7H2,1-2H3,(H,16,18);1H.
What are the key properties of 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride?
5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride has a molecular weight of 329.78 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methylpiperidin-4-yl)-2-nitrobenzamide;hydrochloride is sourced from PubChem (CID 120601078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).