5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide

C14H19N3O3 — CID 65461649

IUPAC5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-13(17(19)20)12(8-10)14(18)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyMGTPGGPSYPFBGH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.63
Rot. Bonds4

About 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide

5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 65461649) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
PubChem CID65461649
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide
SMILESCc1ccc([N+](=O)[O-])c(C(=O)NCC2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c1-10-2-3-13(17(19)20)12(8-10)14(18)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18)
InChIKeyMGTPGGPSYPFBGH-UHFFFAOYSA-N
XLogP1.63
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
N-(3-azabicyclo[3.1.0]hexan-6-yl)-5-methyl-2-nitrobenzamide
CID 65460445
N-(cyclopentylmethyl)-5-(methylamino)-2-nitrobenzamide
CID 62168648
5-hydroxy-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 102741836
N-[3-(2-bromoethoxy)propyl]-5-methyl-2-nitrobenzamide
CID 106307487
N-(2,2-dimethoxyethyl)-5-methyl-2-nitrobenzamide
CID 65461021
5-fluoro-2-nitro-N-(oxan-4-ylmethyl)benzamide
CID 62720855
N-cyclopentyl-5-methyl-2-nitrobenzamide
CID 65462834
2-chloro-6-nitro-N-(piperidin-4-ylmethyl)benzamide
CID 63659497
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-[2-(2-methoxyethylamino)ethyl]-5-methyl-2-nitrobenzamide
CID 82993906
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide (CID 65461649) is 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide is Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CCNCC2)c1.
What is the InChIKey of 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is MGTPGGPSYPFBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-2-3-13(17(19)20)12(8-10)14(18)16-9-11-4-6-15-7-5-11/h2-3,8,11,15H,4-7,9H2,1H3,(H,16,18).
What are the key properties of 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide?
5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 277.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-nitro-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 65461649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).