2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide

C15H20N4O4 — CID 66560914

IUPAC2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C15H20N4O4/c1-2-7-16-14(20)10-18-9-8-17(11-15(18)21)12-5-3-4-6-13(12)19(22)23/h3-6H,2,7-11H2,1H3,(H,16,20)
InChIKeyJRYIBROACHUJFO-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.77
Rot. Bonds6

About 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide

2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide (PubChem CID 66560914) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide
PubChem CID66560914
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1=O
InChIInChI=1S/C15H20N4O4/c1-2-7-16-14(20)10-18-9-8-17(11-15(18)21)12-5-3-4-6-13(12)19(22)23/h3-6H,2,7-11H2,1H3,(H,16,20)
InChIKeyJRYIBROACHUJFO-UHFFFAOYSA-N
XLogP0.77
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide (CID 66560914) is 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1=O.
What is the InChIKey of 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide?
The InChIKey is JRYIBROACHUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-2-7-16-14(20)10-18-9-8-17(11-15(18)21)12-5-3-4-6-13(12)19(22)23/h3-6H,2,7-11H2,1H3,(H,16,20).
What are the key properties of 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide?
2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide has a molecular weight of 320.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-nitrophenyl)-2-oxopiperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 66560914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).