4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide

C17H25N3O5 — CID 120887298

IUPAC4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NCC2(COC)CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O5/c1-3-25-15-5-4-13(10-14(15)20(22)23)16(21)19-11-17(12-24-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCVJGLQJUIMLOPB-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.74
Rot. Bonds8

About 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide

4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide (PubChem CID 120887298) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
PubChem CID120887298
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)NCC2(COC)CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O5/c1-3-25-15-5-4-13(10-14(15)20(22)23)16(21)19-11-17(12-24-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11-12H2,1-2H3,(H,19,21)
InChIKeyCVJGLQJUIMLOPB-UHFFFAOYSA-N
XLogP1.74
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-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

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-ethoxy-3-nitro-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51317283
4-ethoxy-N-(3-methoxypropyl)-3-nitrobenzamide
CID 39752649
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120890902
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-nitrobenzamide;hydrochloride
CID 120887351
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
4-ethoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 39752666

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide (CID 120887298) is 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide is CCOc1ccc(C(=O)NCC2(COC)CCNCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide?
The InChIKey is CVJGLQJUIMLOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c1-3-25-15-5-4-13(10-14(15)20(22)23)16(21)19-11-17(12-24-2)6-8-18-9-7-17/h4-5,10,18H,3,6-9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide?
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide has a molecular weight of 351.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide is sourced from PubChem (CID 120887298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).