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

C16H23N3O5 — CID 120887254

IUPAC3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
SMILESCOCC1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCNCC1
InChIInChI=1S/C16H23N3O5/c1-23-11-16(5-7-17-8-6-16)10-18-15(20)12-3-4-13(19(21)22)14(9-12)24-2/h3-4,9,17H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyJFOQCUJSLRCJQU-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.35
Rot. Bonds7

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

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide (PubChem CID 120887254) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
PubChem CID120887254
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
SMILESCOCC1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCNCC1
InChIInChI=1S/C16H23N3O5/c1-23-11-16(5-7-17-8-6-16)10-18-15(20)12-3-4-13(19(21)22)14(9-12)24-2/h3-4,9,17H,5-8,10-11H2,1-2H3,(H,18,20)
InChIKeyJFOQCUJSLRCJQU-UHFFFAOYSA-N
XLogP1.35
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.35
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'}

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Related Compounds

4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
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-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
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
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-chloro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-nitrobenzamide;hydrochloride
CID 120892059
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The IUPAC name of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide (CID 120887254) is 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide.
What is the SMILES notation for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The canonical SMILES for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide is COCC1(CNC(=O)c2ccc([N+](=O)[O-])c(OC)c2)CCNCC1.
What is the InChIKey of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
The InChIKey is JFOQCUJSLRCJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-23-11-16(5-7-17-8-6-16)10-18-15(20)12-3-4-13(19(21)22)14(9-12)24-2/h3-4,9,17H,5-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide?
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide has a molecular weight of 337.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide is sourced from PubChem (CID 120887254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).