1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione

C19H16N2O5 — CID 19898217

IUPAC1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione
SMILESCN1C(=O)C(C(=O)c2ccccc2[N+](=O)[O-])C(=O)CC1c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-20-15(12-7-3-2-4-8-12)11-16(22)17(19(20)24)18(23)13-9-5-6-10-14(13)21(25)26/h2-10,15,17H,11H2,1H3
InChIKeyGXLORPKTRHZNSX-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.57
Rot. Bonds4

About 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione

1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione (PubChem CID 19898217) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione
PubChem CID19898217
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione
SMILESCN1C(=O)C(C(=O)c2ccccc2[N+](=O)[O-])C(=O)CC1c1ccccc1
InChIInChI=1S/C19H16N2O5/c1-20-15(12-7-3-2-4-8-12)11-16(22)17(19(20)24)18(23)13-9-5-6-10-14(13)21(25)26/h2-10,15,17H,11H2,1H3
InChIKeyGXLORPKTRHZNSX-UHFFFAOYSA-N
XLogP2.57
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.57
H-Bond Donors ≤ 50
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

3-(4-chloro-2-nitrobenzoyl)-1-methyl-6-(4-methylsulfanylphenyl)piperidine-2,4-dione
CID 19898214
2-(2-nitrobenzoyl)cyclohex-4-ene-1,3-dione
CID 70043315
benzene;2-nitrobenzoic acid
CID 19891435
cyclohexyl-(2-nitrophenyl)methanone
CID 82116139
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
ethyl 3-(4-chloro-2-nitrobenzoyl)-2,4-dioxo-6-phenylcyclohexane-1-carboxylate
CID 19898289
sodium;hydride;2-nitrobenzoic acid
CID 173210089
2-nitro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7254959
2-nitro-N'-(2-phenylcyclopropanecarbonyl)benzohydrazide
CID 3098905
(3,4-dihydroxypyrrolidin-1-yl)-(2-nitrophenyl)methanone
CID 106671114
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione?
The IUPAC name of 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione (CID 19898217) is 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione is CN1C(=O)C(C(=O)c2ccccc2[N+](=O)[O-])C(=O)CC1c1ccccc1.
What is the InChIKey of 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione?
The InChIKey is GXLORPKTRHZNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-20-15(12-7-3-2-4-8-12)11-16(22)17(19(20)24)18(23)13-9-5-6-10-14(13)21(25)26/h2-10,15,17H,11H2,1H3.
What are the key properties of 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione?
1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione has a molecular weight of 352.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-nitrobenzoyl)-6-phenylpiperidine-2,4-dione is sourced from PubChem (CID 19898217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).