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

C16H23N3O5 — CID 119461237

IUPAC4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C16H23N3O5/c1-3-24-15-8-13(19(21)22)12(7-14(15)23-2)16(20)18-10-11-5-4-6-17-9-11/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyLIIUHPGEMSMKPB-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.73
Rot. Bonds7

About 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide

4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 119461237) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide
PubChem CID119461237
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Name4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCCNC2)cc1OC
InChIInChI=1S/C16H23N3O5/c1-3-24-15-8-13(19(21)22)12(7-14(15)23-2)16(20)18-10-11-5-4-6-17-9-11/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKeyLIIUHPGEMSMKPB-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

5-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methoxy-2-nitrobenzamide;hydrochloride
CID 120947856
4-ethoxy-5-methoxy-2-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450881
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
2-methoxy-5-nitro-N-(piperidin-3-ylmethyl)benzamide
CID 119464316
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535264
5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511711
N-cyclooctyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36681735
N-cyclooctyl-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 35532421
N-butyl-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 36711005
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 55405943
4-ethoxy-N-[2-(ethylamino)ethyl]-5-methoxy-2-nitrobenzamide
CID 119506030

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide (CID 119461237) is 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide is CCOc1cc([N+](=O)[O-])c(C(=O)NCC2CCCNC2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is LIIUHPGEMSMKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-3-24-15-8-13(19(21)22)12(7-14(15)23-2)16(20)18-10-11-5-4-6-17-9-11/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,20).
What are the key properties of 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide?
4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-2-nitro-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 119461237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).