ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate

C15H17NO5 — CID 70454520

IUPACethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)13-10(8-12(17)16-14(13)18)9-6-4-5-7-11(9)20-2/h4-7,10,13H,3,8H2,1-2H3,(H,16,17,18)/t10-,13-/m1/s1
InChIKeyZCJPNKQCRRSZDA-ZWNOBZJWSA-N
MW291.30 g/mol
LogP1.00
Rot. Bonds4

About ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate

ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate (PubChem CID 70454520) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
PubChem CID70454520
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Nameethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1OC
InChIInChI=1S/C15H17NO5/c1-3-21-15(19)13-10(8-12(17)16-14(13)18)9-6-4-5-7-11(9)20-2/h4-7,10,13H,3,8H2,1-2H3,(H,16,17,18)/t10-,13-/m1/s1
InChIKeyZCJPNKQCRRSZDA-ZWNOBZJWSA-N
XLogP1.00
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S,4R)-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
CID 11391819
ethyl 4,6-bis(2-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate
CID 91653457
diethyl (4S,6R,7R)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51433391
diethyl (4S,6S,7S)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51433393
ethyl (4S,5S)-4-(2-methoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxo-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 27748500
diethyl (4R,6R,7R)-4-(4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 51571739
diethyl 4-(2,3-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 3833230
ethyl (4R,5R)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455883
ethyl (4R,5S)-4-(2-methoxyphenyl)-6-oxo-2-piperidin-1-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate
CID 41455884
ethyl 4-(2-methoxyphenyl)-1-methylpyrrolidine-3-carboxylate
CID 134162395
diethyl (4S,6S,7S)-4-(4-bromophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 98132925
diethyl (4R,6R,7R)-4-(4-bromophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
CID 98128092

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate (CID 70454520) is ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate is CCOC(=O)[C@H]1C(=O)NC(=O)C[C@@H]1c1ccccc1OC.
What is the InChIKey of ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is ZCJPNKQCRRSZDA-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H17NO5/c1-3-21-15(19)13-10(8-12(17)16-14(13)18)9-6-4-5-7-11(9)20-2/h4-7,10,13H,3,8H2,1-2H3,(H,16,17,18)/t10-,13-/m1/s1.
What are the key properties of ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate?
ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-4-(2-methoxyphenyl)-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 70454520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).