2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide

C14H19N3O4 — CID 119464316

IUPAC2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCNC1
InChIInChI=1S/C14H19N3O4/c1-21-13-5-4-11(17(19)20)7-12(13)14(18)16-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyMMGUSXYENYJNBE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.33
Rot. Bonds5

About 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide

2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119464316) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119464316
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCNC1
InChIInChI=1S/C14H19N3O4/c1-21-13-5-4-11(17(19)20)7-12(13)14(18)16-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,18)
InChIKeyMMGUSXYENYJNBE-UHFFFAOYSA-N
XLogP1.33
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.33
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'}

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Related Compounds

2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
2-methyl-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462651
2-fluoro-4-nitro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463599
2-iodo-4-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464595
4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119461237
1-methyl-3-(4-nitrophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide
CID 119460752
5-nitro-N-(piperidin-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119461374
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
CID 119460070
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide (CID 119464316) is 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide is COc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCCNC1.
What is the InChIKey of 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is MMGUSXYENYJNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-13-5-4-11(17(19)20)7-12(13)14(18)16-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,18).
What are the key properties of 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide?
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 293.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119464316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).