N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide

C13H15N3O4 — CID 2193983

IUPACN-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1
InChIInChI=1S/C13H15N3O4/c17-12(13(18)15-7-2-1-3-8-15)14-10-5-4-6-11(9-10)16(19)20/h4-6,9H,1-3,7-8H2,(H,14,17)
InChIKeyKDWMZRYZJBDYRC-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.55
Rot. Bonds2

About N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide

N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 2193983) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide
PubChem CID2193983
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1
InChIInChI=1S/C13H15N3O4/c17-12(13(18)15-7-2-1-3-8-15)14-10-5-4-6-11(9-10)16(19)20/h4-6,9H,1-3,7-8H2,(H,14,17)
InChIKeyKDWMZRYZJBDYRC-UHFFFAOYSA-N
XLogP1.55
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide (CID 2193983) is N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide is O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1.
What is the InChIKey of N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is KDWMZRYZJBDYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c17-12(13(18)15-7-2-1-3-8-15)14-10-5-4-6-11(9-10)16(19)20/h4-6,9H,1-3,7-8H2,(H,14,17).
What are the key properties of N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide?
N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 277.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2193983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).