N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide

C13H15N3O5 — CID 2913143

IUPACN-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyCYFYOBYYOJJASG-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.07
Rot. Bonds4

About N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide

N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide (PubChem CID 2913143) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
PubChem CID2913143
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCNC1=O
InChIInChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18)
InChIKeyCYFYOBYYOJJASG-UHFFFAOYSA-N
XLogP1.07
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5'-Nitro-2'-propoxyacetanilide
CID 68377
4'-Methoxy-3'-nitroacetanilide
CID 95043
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
2-methoxy-5-nitro-N-(propan-2-yl)aniline
CID 792679
N-(2-methoxy-5-nitrophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 1340159
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 1340675
N-(2-methoxy-5-nitrophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 2901726
N-(2-methoxy-5-nitrophenyl)propanamide
CID 2176144
1-(5-Amino-2-methoxyphenyl)piperidin-2-one
CID 13062325
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2112476
2-oxo-N-(4-propoxyphenyl)-3-piperidinecarboxamide
CID 2911661

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide (CID 2913143) is N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCNC1=O.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
The InChIKey is CYFYOBYYOJJASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-21-11-5-4-8(16(19)20)7-10(11)15-13(18)9-3-2-6-14-12(9)17/h4-5,7,9H,2-3,6H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide?
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 2913143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).