(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione

C120H92N12O32 — CID 161010235

IUPAC(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione
SMILESCc1nc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2o1.Cc1nc2cc3occ([C@H]4CCC(=O)NC4=O)c3cc2o1.O=C1CC[C@@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ncoc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4ncoc4cc23)C(=O)N1
InChIInChI=1S/2C17H13NO3.2C15H12N2O4.2C14H10N2O4.2C14H11NO5/c2*19-16-6-5-12(17(20)18-16)14-9-21-15-8-11-4-2-1-3-10(11)7-13(14)15;2*1-7-16-11-5-12-9(4-13(11)21-7)10(6-20-12)8-2-3-14(18)17-15(8)19;2*17-13-2-1-7(14(18)16-13)9-5-19-11-4-10-12(3-8(9)11)20-6-15-10;2*16-13-2-1-7(14(17)15-13)9-5-18-10-4-12-11(3-8(9)10)19-6-20-12/h2*1-4,7-9,12H,5-6H2,(H,18,19,20);2*4-6,8H,2-3H2,1H3,(H,17,18,19);2*3-7H,1-2H2,(H,16,17,18);2*3-5,7H,1-2,6H2,(H,15,16,17)/t2*12-;2*8-;4*7-/m10101010/s1
InChIKeyTXAPGEPHBYZRSF-PEIGWVIYSA-N
MW2214.11 g/mol
LogP18.57
Rot. Bonds8

About (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione

(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione (PubChem CID 161010235) has the molecular formula C120H92N12O32 and a molecular weight of 2214.11 g/mol. Its IUPAC name is (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione
PubChem CID161010235
Molecular FormulaC120H92N12O32
Molecular Weight2214.11 g/mol
Exact Mass2212.59
IUPAC Name(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione
SMILESCc1nc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2o1.Cc1nc2cc3occ([C@H]4CCC(=O)NC4=O)c3cc2o1.O=C1CC[C@@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ncoc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4ncoc4cc23)C(=O)N1
InChIInChI=1S/2C17H13NO3.2C15H12N2O4.2C14H10N2O4.2C14H11NO5/c2*19-16-6-5-12(17(20)18-16)14-9-21-15-8-11-4-2-1-3-10(11)7-13(14)15;2*1-7-16-11-5-12-9(4-13(11)21-7)10(6-20-12)8-2-3-14(18)17-15(8)19;2*17-13-2-1-7(14(18)16-13)9-5-19-11-4-10-12(3-8(9)11)20-6-15-10;2*16-13-2-1-7(14(17)15-13)9-5-18-10-4-12-11(3-8(9)10)19-6-20-12/h2*1-4,7-9,12H,5-6H2,(H,18,19,20);2*4-6,8H,2-3H2,1H3,(H,17,18,19);2*3-7H,1-2H2,(H,16,17,18);2*3-5,7H,1-2,6H2,(H,15,16,17)/t2*12-;2*8-;4*7-/m10101010/s1
InChIKeyTXAPGEPHBYZRSF-PEIGWVIYSA-N
XLogP18.57
TPSA615.52 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds8
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002214.11
LogP ≤ 518.57
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione (CID 161010235) is (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione is Cc1nc2cc3occ([C@@H]4CCC(=O)NC4=O)c3cc2o1.Cc1nc2cc3occ([C@H]4CCC(=O)NC4=O)c3cc2o1.O=C1CC[C@@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@@H](c2coc3cc4ncoc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4c(cc23)OCO4)C(=O)N1.O=C1CC[C@H](c2coc3cc4ccccc4cc23)C(=O)N1.O=C1CC[C@H](c2coc3cc4ncoc4cc23)C(=O)N1.
What is the InChIKey of (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione?
The InChIKey is TXAPGEPHBYZRSF-PEIGWVIYSA-N. The full InChI is InChI=1S/2C17H13NO3.2C15H12N2O4.2C14H10N2O4.2C14H11NO5/c2*19-16-6-5-12(17(20)18-16)14-9-21-15-8-11-4-2-1-3-10(11)7-13(14)15;2*1-7-16-11-5-12-9(4-13(11)21-7)10(6-20-12)8-2-3-14(18)17-15(8)19;2*17-13-2-1-7(14(18)16-13)9-5-19-11-4-10-12(3-8(9)11)20-6-15-10;2*16-13-2-1-7(14(17)15-13)9-5-18-10-4-12-11(3-8(9)10)19-6-20-12/h2*1-4,7-9,12H,5-6H2,(H,18,19,20);2*4-6,8H,2-3H2,1H3,(H,17,18,19);2*3-7H,1-2H2,(H,16,17,18);2*3-5,7H,1-2,6H2,(H,15,16,17)/t2*12-;2*8-;4*7-/m10101010/s1.
What are the key properties of (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione?
(3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione has a molecular weight of 2214.11 g/mol, XLogP of 18.57, 8 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3S)-3-benzo[f][1]benzofuran-3-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzodioxol-7-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-f][1,3]benzoxazol-7-ylpiperidine-2,6-dione;(3R)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione;(3S)-3-(2-methylfuro[2,3-f][1,3]benzoxazol-7-yl)piperidine-2,6-dione is sourced from PubChem (CID 161010235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).