(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione

C13H14N2O4 — CID 129396617

IUPAC(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
SMILESCC[C@]1(c2cccc([N+](=O)[O-])c2)CCC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-2-13(7-6-11(16)14-12(13)17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,14,16,17)/t13-/m1/s1
InChIKeyJUSAUVLTZITMGF-CYBMUJFWSA-N
MW262.26 g/mol
LogP1.68
Rot. Bonds3

About (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione

(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione (PubChem CID 129396617) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
PubChem CID129396617
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione
SMILESCC[C@]1(c2cccc([N+](=O)[O-])c2)CCC(=O)NC1=O
InChIInChI=1S/C13H14N2O4/c1-2-13(7-6-11(16)14-12(13)17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,14,16,17)/t13-/m1/s1
InChIKeyJUSAUVLTZITMGF-CYBMUJFWSA-N
XLogP1.68
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-(3-nitrophenyl)pyrrolidine-2,5-dione
CID 43155325
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 60576778
3-ethyl-3-(1-oxidopyridin-1-ium-4-yl)piperidine-2,6-dione
CID 15688005
3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
CID 118347838
[1-(3-nitrophenyl)cyclopropyl]methanol
CID 131010152
3-(3-chlorophenyl)-3-ethylpyrrolidine-2,5-dione
CID 43155320
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-2,6-dimethoxybenzamide
CID 40946988
2-methyl-2-(3-nitrophenyl)-1,3-dihydroperimidine
CID 169490577
N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 40517909
2,4,4,5,5-pentamethyl-2-(3-nitrophenyl)-1,3-dioxolane
CID 10378183
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167747058
3-(1-hydroxy-4-nitro-2,3-dihydroisoindol-1-yl)-3-propylpiperidine-2,6-dione
CID 67437305

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione (CID 129396617) is (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione is CC[C@]1(c2cccc([N+](=O)[O-])c2)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione?
The InChIKey is JUSAUVLTZITMGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-13(7-6-11(16)14-12(13)17)9-4-3-5-10(8-9)15(18)19/h3-5,8H,2,6-7H2,1H3,(H,14,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione?
(3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione has a molecular weight of 262.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-3-(3-nitrophenyl)piperidine-2,6-dione is sourced from PubChem (CID 129396617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).