5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide

C14H20N4O3 — CID 83016700

IUPAC5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H20N4O3/c1-2-15-11-6-7-13(18(20)21)12(10-11)14(19)16-17-8-4-3-5-9-17/h6-7,10,15H,2-5,8-9H2,1H3,(H,16,19)
InChIKeyWOTGLTCRYQIQAH-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.16
Rot. Bonds5

About 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide

5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide (PubChem CID 83016700) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
PubChem CID83016700
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide
SMILESCCNc1ccc([N+](=O)[O-])c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C14H20N4O3/c1-2-15-11-6-7-13(18(20)21)12(10-11)14(19)16-17-8-4-3-5-9-17/h6-7,10,15H,2-5,8-9H2,1H3,(H,16,19)
InChIKeyWOTGLTCRYQIQAH-UHFFFAOYSA-N
XLogP2.16
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.16
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

5-hydroxy-2-nitro-N-piperidin-1-ylbenzamide
CID 107076391
2-nitro-N-piperidin-1-ylbenzamide
CID 17163930
[5-(ethylamino)-2-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62172348
5-(ethylamino)-N-(2-methylcyclopropyl)-2-nitrobenzamide
CID 62408662
5-(ethylamino)-N-(2-methylpropyl)-2-nitrobenzamide
CID 55042834
(3,4-dihydroxypyrrolidin-1-yl)-[5-(ethylamino)-2-nitrophenyl]methanone
CID 106673753
N-(1-amino-1-oxopropan-2-yl)-5-(ethylamino)-2-nitrobenzamide
CID 62170077
N-[2-(dimethylamino)ethyl]-5-(ethylamino)-2-nitrobenzamide
CID 62171493
1-N,3-N-diethyl-4-nitrobenzene-1,3-diamine
CID 57469469
N-cyclopropyl-N-ethyl-5-(ethylamino)-2-nitrobenzamide
CID 62169978
5-(ethylamino)-N-methyl-2-nitro-N-propan-2-ylbenzamide
CID 62167053
5-fluoro-N-(4-methylpiperazin-1-yl)-2-nitrobenzamide
CID 83014030

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide?
The IUPAC name of 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide (CID 83016700) is 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide?
The canonical SMILES for 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide is CCNc1ccc([N+](=O)[O-])c(C(=O)NN2CCCCC2)c1.
What is the InChIKey of 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide?
The InChIKey is WOTGLTCRYQIQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-15-11-6-7-13(18(20)21)12(10-11)14(19)16-17-8-4-3-5-9-17/h6-7,10,15H,2-5,8-9H2,1H3,(H,16,19).
What are the key properties of 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide?
5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-nitro-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83016700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).