N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide

C13H16N4O4 — CID 78983634

IUPACN-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
SMILESCNC(=O)c1ccc(NC2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O4/c1-14-12(18)8-4-5-9(11(7-8)17(20)21)16-10-3-2-6-15-13(10)19/h4-5,7,10,16H,2-3,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyVAGXUDZRSUATHE-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.64
Rot. Bonds4

About N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide

N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide (PubChem CID 78983634) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
PubChem CID78983634
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
SMILESCNC(=O)c1ccc(NC2CCCNC2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H16N4O4/c1-14-12(18)8-4-5-9(11(7-8)17(20)21)16-10-3-2-6-15-13(10)19/h4-5,7,10,16H,2-3,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyVAGXUDZRSUATHE-UHFFFAOYSA-N
XLogP0.64
TPSA113.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
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

4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzaldehyde
CID 83105604
N-methyl-3-nitro-4-[(5-oxopyrrolidin-3-yl)amino]benzamide
CID 103952523
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672
N-methyl-4-[(2-methylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 106995963
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
3-[4-(3-methylpiperidin-1-yl)sulfonyl-2-nitroanilino]piperidin-2-one
CID 51128464
4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133439015
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
CID 62060382
N-methyl-3-nitro-4-[(5-oxopyrrolidin-2-yl)methylamino]benzamide
CID 78962011
3-[[4-(methylamino)-3-nitrophenyl]methylamino]azepan-2-one
CID 91641965

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide?
The IUPAC name of N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide (CID 78983634) is N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide.
What is the SMILES notation for N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide?
The canonical SMILES for N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide is CNC(=O)c1ccc(NC2CCCNC2=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide?
The InChIKey is VAGXUDZRSUATHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-14-12(18)8-4-5-9(11(7-8)17(20)21)16-10-3-2-6-15-13(10)19/h4-5,7,10,16H,2-3,6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide?
N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide has a molecular weight of 292.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide is sourced from PubChem (CID 78983634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).