4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide

C13H16N4O4 — CID 64669798

IUPAC4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
SMILESCN1CC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C13H16N4O4/c1-16-7-9(3-5-12(16)18)15-10-4-2-8(13(14)19)6-11(10)17(20)21/h2,4,6,9,15H,3,5,7H2,1H3,(H2,14,19)
InChIKeyUEAOMDMFUZWEAV-UHFFFAOYSA-N
MW292.30 g/mol
LogP0.73
Rot. Bonds4

About 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide

4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide (PubChem CID 64669798) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
PubChem CID64669798
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
SMILESCN1CC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C13H16N4O4/c1-16-7-9(3-5-12(16)18)15-10-4-2-8(13(14)19)6-11(10)17(20)21/h2,4,6,9,15H,3,5,7H2,1H3,(H2,14,19)
InChIKeyUEAOMDMFUZWEAV-UHFFFAOYSA-N
XLogP0.73
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 50.73
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

1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
3-amino-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64655509
4-bromo-N-(1-methyl-6-oxopiperidin-3-yl)-3-nitrobenzamide
CID 64669403
4-[(3-aminocyclobutyl)amino]-3-nitrobenzamide
CID 43599311
4-[(3,4-dimethylcyclohexyl)amino]-3-nitrobenzamide
CID 64743861
4-[(1-methylsulfonylpiperidin-4-yl)amino]-3-nitrobenzamide
CID 24592331
4-[(3-methylsulfanylcyclopentyl)amino]-3-nitrobenzamide
CID 103704122
4-[(2-methyloxan-4-yl)amino]-3-nitrobenzamide
CID 103889115
3-nitro-4-(oxan-3-ylamino)benzamide
CID 55189150
1-methyl-5-(2-methyl-5-nitroanilino)piperidin-2-one
CID 64667196
4-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
CID 64654110
methyl 4-amino-3-[(1-methyl-6-oxopiperidin-3-yl)amino]benzoate
CID 82795806

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide?
The IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide (CID 64669798) is 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide.
What is the SMILES notation for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide?
The canonical SMILES for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide is CN1CC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC1=O.
What is the InChIKey of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide?
The InChIKey is UEAOMDMFUZWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-16-7-9(3-5-12(16)18)15-10-4-2-8(13(14)19)6-11(10)17(20)21/h2,4,6,9,15H,3,5,7H2,1H3,(H2,14,19).
What are the key properties of 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide?
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide has a molecular weight of 292.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide is sourced from PubChem (CID 64669798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).