2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide

C17H25N3O3 — CID 60557221

IUPAC2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide
SMILESCc1c(C(=O)NCC(C)CN2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-13(12-19-9-4-3-5-10-19)11-18-17(21)15-7-6-8-16(14(15)2)20(22)23/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,21)
InChIKeyHUEJTGUQTKZOIQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.76
Rot. Bonds6

About 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide

2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide (PubChem CID 60557221) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide
PubChem CID60557221
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide
SMILESCc1c(C(=O)NCC(C)CN2CCCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H25N3O3/c1-13(12-19-9-4-3-5-10-19)11-18-17(21)15-7-6-8-16(14(15)2)20(22)23/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,21)
InChIKeyHUEJTGUQTKZOIQ-UHFFFAOYSA-N
XLogP2.76
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-hydroxy-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
CID 66167701
2-amino-3-nitro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 115678974
2-nitro-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 94671216
2-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)-6-nitroaniline
CID 63541950
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-methyl-3-nitrobenzamide
CID 111451536
2-amino-3-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 115677714
2-amino-6-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61140232
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
2-hydroxy-N-(3-methoxy-2-methylpropyl)-3-nitrobenzamide
CID 103800130
2-amino-5-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 61139853
2-methyl-3-nitro-N-[[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502517

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide (CID 60557221) is 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide is Cc1c(C(=O)NCC(C)CN2CCCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide?
The InChIKey is HUEJTGUQTKZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(12-19-9-4-3-5-10-19)11-18-17(21)15-7-6-8-16(14(15)2)20(22)23/h6-8,13H,3-5,9-12H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide?
2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide has a molecular weight of 319.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-3-nitrobenzamide is sourced from PubChem (CID 60557221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).