5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide

C13H18N4O3 — CID 62160146

IUPAC5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
SMILESCN1CCCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H18N4O3/c1-16-6-2-3-10(8-16)15-13(18)11-7-9(14)4-5-12(11)17(19)20/h4-5,7,10H,2-3,6,8,14H2,1H3,(H,15,18)
InChIKeyGUTDIXGREHHQKH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds3

About 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide

5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide (PubChem CID 62160146) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
PubChem CID62160146
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
SMILESCN1CCCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C13H18N4O3/c1-16-6-2-3-10(8-16)15-13(18)11-7-9(14)4-5-12(11)17(19)20/h4-5,7,10H,2-3,6,8,14H2,1H3,(H,15,18)
InChIKeyGUTDIXGREHHQKH-UHFFFAOYSA-N
XLogP1.00
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
5-amino-N-(2-methylcyclopentyl)-2-nitrobenzamide
CID 63279171
2-hydroxy-N-(1-methylpyrrolidin-3-yl)-3-nitrobenzamide
CID 103800110
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
5-amino-N-(2,2-dimethylcyclopentyl)-2-nitrobenzamide
CID 79873334
5-amino-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62642033
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
5-amino-N-(2-ethylcyclohexyl)-2-nitrobenzamide
CID 62185824
4-amino-N-(1-methylpiperidin-3-yl)pyridine-3-carboxamide
CID 81243197
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide?
The IUPAC name of 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide (CID 62160146) is 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide.
What is the SMILES notation for 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide?
The canonical SMILES for 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide is CN1CCCC(NC(=O)c2cc(N)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide?
The InChIKey is GUTDIXGREHHQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16-6-2-3-10(8-16)15-13(18)11-7-9(14)4-5-12(11)17(19)20/h4-5,7,10H,2-3,6,8,14H2,1H3,(H,15,18).
What are the key properties of 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide?
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide is sourced from PubChem (CID 62160146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).