3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide

C14H18N4O4 — CID 9271319

IUPAC3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NN1CCCCC1
InChIInChI=1S/C14H18N4O4/c19-13(16-17-7-2-1-3-8-17)10-15-14(20)11-5-4-6-12(9-11)18(21)22/h4-6,9H,1-3,7-8,10H2,(H,15,20)(H,16,19)
InChIKeyORDRUORADUWFBB-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.84
Rot. Bonds5

About 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide

3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide (PubChem CID 9271319) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
PubChem CID9271319
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NN1CCCCC1
InChIInChI=1S/C14H18N4O4/c19-13(16-17-7-2-1-3-8-17)10-15-14(20)11-5-4-6-12(9-11)18(21)22/h4-6,9H,1-3,7-8,10H2,(H,15,20)(H,16,19)
InChIKeyORDRUORADUWFBB-UHFFFAOYSA-N
XLogP0.84
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.84
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'}

Analyze 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide 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

N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]-3-nitrobenzamide
CID 46522286
N-[2-(3-cyclohexylpropylamino)-2-oxoethyl]-3-nitrobenzamide
CID 46461541
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
N-[2-(ethoxyamino)-2-oxoethyl]-3-nitrobenzamide
CID 134056434
N-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]-3-nitrobenzamide
CID 43019458
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
3-nitro-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 94099347
N-(3-methyl-2-oxobutyl)-3-nitrobenzamide
CID 64994183
3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843493
N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide
CID 7722119
N-[2-(cycloheptylamino)ethyl]-3-nitrobenzamide;hydrochloride
CID 119621295

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide?
The IUPAC name of 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide (CID 9271319) is 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide is O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NN1CCCCC1.
What is the InChIKey of 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide?
The InChIKey is ORDRUORADUWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c19-13(16-17-7-2-1-3-8-17)10-15-14(20)11-5-4-6-12(9-11)18(21)22/h4-6,9H,1-3,7-8,10H2,(H,15,20)(H,16,19).
What are the key properties of 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide?
3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide has a molecular weight of 306.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide is sourced from PubChem (CID 9271319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).