(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate

C21H20N2O6 — CID 2491122

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C21H20N2O6/c24-18(22-8-2-1-3-9-22)13-29-21(27)14-6-7-16-17(11-14)20(26)23(19(16)25)12-15-5-4-10-28-15/h4-7,10-11H,1-3,8-9,12-13H2
InChIKeyGCPIXRVDYSEELT-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.25
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate (PubChem CID 2491122) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
PubChem CID2491122
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
InChIInChI=1S/C21H20N2O6/c24-18(22-8-2-1-3-9-22)13-29-21(27)14-6-7-16-17(11-14)20(26)23(19(16)25)12-15-5-4-10-28-15/h4-7,10-11H,1-3,8-9,12-13H2
InChIKeyGCPIXRVDYSEELT-UHFFFAOYSA-N
XLogP2.25
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate with MolForge

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Related Compounds

2-[(Furan-2-yl)methyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
CID 887709
Furan-2-yl-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 652876
Methyl 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate
CID 2628319
2-butyl-N-(furan-2-ylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 2667282
2-[(Furan-2-ylmethyl)amino]-2-oxoethyl 3,4-dimethylbenzoate
CID 2715806
5-[4-(2-Furylcarbonyl)piperazino]-5-oxo-3-phenylpentanoic acid
CID 2812276
N-(furan-2-ylmethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2974655
2-ethyl-N-(2-furylmethyl)-1,3-dioxoisoindoline-5-carboxamide
CID 4367205
N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxamide
CID 664218
2-furyl-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone
CID 489821
2-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 73776941
[1-(Furan-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 2740736

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate (CID 2491122) is (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate is O=C(OCC(=O)N1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate?
The InChIKey is GCPIXRVDYSEELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O6/c24-18(22-8-2-1-3-9-22)13-29-21(27)14-6-7-16-17(11-14)20(26)23(19(16)25)12-15-5-4-10-28-15/h4-7,10-11H,1-3,8-9,12-13H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate has a molecular weight of 396.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxylate is sourced from PubChem (CID 2491122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).