4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C15H20N4O5 — CID 119454862

IUPAC4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c1-17(10-14(20)18-7-5-16-6-8-18)15(21)11-3-4-13(24-2)12(9-11)19(22)23/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyHZMUYHHNTGLTGI-UHFFFAOYSA-N
MW336.35 g/mol
LogP0.11
Rot. Bonds5

About 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 119454862) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID119454862
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O5/c1-17(10-14(20)18-7-5-16-6-8-18)15(21)11-3-4-13(24-2)12(9-11)19(22)23/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyHZMUYHHNTGLTGI-UHFFFAOYSA-N
XLogP0.11
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 119454862) is 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is COc1ccc(C(=O)N(C)CC(=O)N2CCNCC2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is HZMUYHHNTGLTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-17(10-14(20)18-7-5-16-6-8-18)15(21)11-3-4-13(24-2)12(9-11)19(22)23/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 336.35 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-3-nitro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 119454862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).