N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide

C12H13N3O4 — CID 76872950

IUPACN-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2[N+](=O)[O-])CN1
InChIInChI=1S/C12H13N3O4/c16-11-6-5-8(7-13-11)12(17)14-9-3-1-2-4-10(9)15(18)19/h1-4,8H,5-7H2,(H,13,16)(H,14,17)
InChIKeyNNHSBBCHXRLQGM-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.06
Rot. Bonds3

About N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide

N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 76872950) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
PubChem CID76872950
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC NameN-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccccc2[N+](=O)[O-])CN1
InChIInChI=1S/C12H13N3O4/c16-11-6-5-8(7-13-11)12(17)14-9-3-1-2-4-10(9)15(18)19/h1-4,8H,5-7H2,(H,13,16)(H,14,17)
InChIKeyNNHSBBCHXRLQGM-UHFFFAOYSA-N
XLogP1.06
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.06
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

N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(4-methyl-3-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 74570841
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
N-(2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83192750
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
CID 97341230
3-(2-nitrophenyl)-N-(6-oxopiperidin-3-yl)prop-2-enamide
CID 76944811
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide (CID 76872950) is N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccccc2[N+](=O)[O-])CN1.
What is the InChIKey of N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is NNHSBBCHXRLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-11-6-5-8(7-13-11)12(17)14-9-3-1-2-4-10(9)15(18)19/h1-4,8H,5-7H2,(H,13,16)(H,14,17).
What are the key properties of N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide?
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 76872950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).