(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

C154H148N16O30 — CID 157492459

IUPAC(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)NC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)NC4=O)c32)c1.COCc1cccc2c1ccc1occ([C@@H]3CCC(=O)NC3=O)c12.COCc1cccc2c1ccc1occ([C@H]3CCC(=O)NC3=O)c12.Cn1ncc2c3c([C@@H]4CCC(=O)NC4=O)coc3ccc21.Cn1ncc2c3c([C@H]4CCC(=O)NC4=O)coc3ccc21.O=C1CC[C@@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1
InChIInChI=1S/2C22H22N2O4.2C21H22N2O4.2C19H17NO4.2C15H13N3O3/c2*25-20-7-5-17(22(26)23-20)18-13-28-19-6-4-15-14(2-1-3-16(15)21(18)19)12-24-8-10-27-11-9-24;2*1-23(2)9-10-26-14-4-5-15-13(11-14)3-7-18-20(15)17(12-27-18)16-6-8-19(24)22-21(16)25;2*1-23-9-11-3-2-4-13-12(11)5-7-16-18(13)15(10-24-16)14-6-8-17(21)20-19(14)22;2*1-18-11-3-4-12-14(9(11)6-16-18)10(7-21-12)8-2-5-13(19)17-15(8)20/h2*1-4,6,13,17H,5,7-12H2,(H,23,25,26);2*3-5,7,11-12,16H,6,8-10H2,1-2H3,(H,22,24,25);2*2-5,7,10,14H,6,8-9H2,1H3,(H,20,21,22);2*3-4,6-8H,2,5H2,1H3,(H,17,19,20)/t2*17-;2*16-;2*14-;2*8-/m10101010/s1
InChIKeyBXLCXLGSURXGEJ-AEZGKQSBSA-N
MW2702.96 g/mol
LogP22.15
Rot. Bonds24

About (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione

(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (PubChem CID 157492459) has the molecular formula C154H148N16O30 and a molecular weight of 2702.96 g/mol. Its IUPAC name is (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
PubChem CID157492459
Molecular FormulaC154H148N16O30
Molecular Weight2702.96 g/mol
Exact Mass2701.05
IUPAC Name(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione
SMILESCN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)NC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)NC4=O)c32)c1.COCc1cccc2c1ccc1occ([C@@H]3CCC(=O)NC3=O)c12.COCc1cccc2c1ccc1occ([C@H]3CCC(=O)NC3=O)c12.Cn1ncc2c3c([C@@H]4CCC(=O)NC4=O)coc3ccc21.Cn1ncc2c3c([C@H]4CCC(=O)NC4=O)coc3ccc21.O=C1CC[C@@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1
InChIInChI=1S/2C22H22N2O4.2C21H22N2O4.2C19H17NO4.2C15H13N3O3/c2*25-20-7-5-17(22(26)23-20)18-13-28-19-6-4-15-14(2-1-3-16(15)21(18)19)12-24-8-10-27-11-9-24;2*1-23(2)9-10-26-14-4-5-15-13(11-14)3-7-18-20(15)17(12-27-18)16-6-8-19(24)22-21(16)25;2*1-23-9-11-3-2-4-13-12(11)5-7-16-18(13)15(10-24-16)14-6-8-17(21)20-19(14)22;2*1-18-11-3-4-12-14(9(11)6-16-18)10(7-21-12)8-2-5-13(19)17-15(8)20/h2*1-4,6,13,17H,5,7-12H2,(H,23,25,26);2*3-5,7,11-12,16H,6,8-10H2,1-2H3,(H,22,24,25);2*2-5,7,10,14H,6,8-9H2,1H3,(H,20,21,22);2*3-4,6-8H,2,5H2,1H3,(H,17,19,20)/t2*17-;2*16-;2*14-;2*8-/m10101010/s1
InChIKeyBXLCXLGSURXGEJ-AEZGKQSBSA-N
XLogP22.15
TPSA578.46 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.96
LogP ≤ 522.15
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione (CID 157492459) is (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)NC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)NC4=O)c32)c1.COCc1cccc2c1ccc1occ([C@@H]3CCC(=O)NC3=O)c12.COCc1cccc2c1ccc1occ([C@H]3CCC(=O)NC3=O)c12.Cn1ncc2c3c([C@@H]4CCC(=O)NC4=O)coc3ccc21.Cn1ncc2c3c([C@H]4CCC(=O)NC4=O)coc3ccc21.O=C1CC[C@@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CN5CCOCC5)cccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
The InChIKey is BXLCXLGSURXGEJ-AEZGKQSBSA-N. The full InChI is InChI=1S/2C22H22N2O4.2C21H22N2O4.2C19H17NO4.2C15H13N3O3/c2*25-20-7-5-17(22(26)23-20)18-13-28-19-6-4-15-14(2-1-3-16(15)21(18)19)12-24-8-10-27-11-9-24;2*1-23(2)9-10-26-14-4-5-15-13(11-14)3-7-18-20(15)17(12-27-18)16-6-8-19(24)22-21(16)25;2*1-23-9-11-3-2-4-13-12(11)5-7-16-18(13)15(10-24-16)14-6-8-17(21)20-19(14)22;2*1-18-11-3-4-12-14(9(11)6-16-18)10(7-21-12)8-2-5-13(19)17-15(8)20/h2*1-4,6,13,17H,5,7-12H2,(H,23,25,26);2*3-5,7,11-12,16H,6,8-10H2,1-2H3,(H,22,24,25);2*2-5,7,10,14H,6,8-9H2,1H3,(H,20,21,22);2*3-4,6-8H,2,5H2,1H3,(H,17,19,20)/t2*17-;2*16-;2*14-;2*8-/m10101010/s1.
What are the key properties of (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione?
(3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione has a molecular weight of 2702.96 g/mol, XLogP of 22.15, 24 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(methoxymethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3S)-3-(3-methylfuro[3,2-e]indazol-8-yl)piperidine-2,6-dione;(3R)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(morpholin-4-ylmethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 157492459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).