N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide

C13H18N4O3 — CID 83026041

IUPACN-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NN2CCCCC2)c1
InChIInChI=1S/C13H18N4O3/c1-14-13(18)10-5-6-12(17(19)20)11(9-10)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,18)
InChIKeyDUVMLGKMAOMTDE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide

N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide (PubChem CID 83026041) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
PubChem CID83026041
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide
SMILESCNC(=O)c1ccc([N+](=O)[O-])c(NN2CCCCC2)c1
InChIInChI=1S/C13H18N4O3/c1-14-13(18)10-5-6-12(17(19)20)11(9-10)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,18)
InChIKeyDUVMLGKMAOMTDE-UHFFFAOYSA-N
XLogP1.77
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.77
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

N-(5-methoxy-2-nitrophenyl)piperidin-1-amine
CID 83026142
N-methyl-4-nitro-3-(pent-4-ynylamino)benzamide
CID 106222503
N-methyl-3-(2-methylbut-3-yn-2-ylamino)-4-nitrobenzamide
CID 82988873
N-methyl-4-nitro-3-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
CID 82993069
3-[(2-hydroxy-2-methylbutyl)amino]-N-methyl-4-nitrobenzamide
CID 82988605
3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-N-methyl-4-nitrobenzamide
CID 106277693
N-methyl-4-nitro-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 82992823
N-methyl-4-nitro-3-(pent-1-yn-3-ylamino)benzamide
CID 106231377
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-[(1-amino-2-methylpropan-2-yl)amino]-N-methyl-4-nitrobenzamide
CID 82988408
N-methyl-4-nitro-3-(pyrrolidin-2-ylmethylamino)benzamide
CID 82989014
3-(methylamino)-4-nitrobenzoic acid
CID 22184623

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide?
The IUPAC name of N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide (CID 83026041) is N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide.
What is the SMILES notation for N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide?
The canonical SMILES for N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide is CNC(=O)c1ccc([N+](=O)[O-])c(NN2CCCCC2)c1.
What is the InChIKey of N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide?
The InChIKey is DUVMLGKMAOMTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-14-13(18)10-5-6-12(17(19)20)11(9-10)15-16-7-3-2-4-8-16/h5-6,9,15H,2-4,7-8H2,1H3,(H,14,18).
What are the key properties of N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide?
N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide has a molecular weight of 278.31 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-nitro-3-(piperidin-1-ylamino)benzamide is sourced from PubChem (CID 83026041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).