(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

C90H94N10O16 — CID 157325135

IUPAC(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/2C23H24N2O4.2C22H23N3O4/c2*26-21-7-5-18(23(27)24-21)19-14-29-20-6-4-16-15(2-1-3-17(16)22(19)20)8-9-25-10-12-28-13-11-25;2*26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h2*1-4,6,14,18H,5,7-13H2,(H,24,26,27);2*4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t2*18-;2*14-/m1010/s1
InChIKeyBEPXTFWPYANDKO-GHILIAEXSA-N
MW1571.80 g/mol
LogP11.91
Rot. Bonds18

About (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione

(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (PubChem CID 157325135) has the molecular formula C90H94N10O16 and a molecular weight of 1571.80 g/mol. Its IUPAC name is (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
PubChem CID157325135
Molecular FormulaC90H94N10O16
Molecular Weight1571.80 g/mol
Exact Mass1570.68
IUPAC Name(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1
InChIInChI=1S/2C23H24N2O4.2C22H23N3O4/c2*26-21-7-5-18(23(27)24-21)19-14-29-20-6-4-16-15(2-1-3-17(16)22(19)20)8-9-25-10-12-28-13-11-25;2*26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h2*1-4,6,14,18H,5,7-13H2,(H,24,26,27);2*4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t2*18-;2*14-/m1010/s1
InChIKeyBEPXTFWPYANDKO-GHILIAEXSA-N
XLogP11.91
TPSA312.90 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001571.80
LogP ≤ 511.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione (CID 157325135) is (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is O=C1CC[C@@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4c(CCN5CCOCC5)cccc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4nc(OCCN5CCCC5)ccc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
The InChIKey is BEPXTFWPYANDKO-GHILIAEXSA-N. The full InChI is InChI=1S/2C23H24N2O4.2C22H23N3O4/c2*26-21-7-5-18(23(27)24-21)19-14-29-20-6-4-16-15(2-1-3-17(16)22(19)20)8-9-25-10-12-28-13-11-25;2*26-19-7-3-14(22(27)24-19)16-13-29-18-6-5-17-15(21(16)18)4-8-20(23-17)28-12-11-25-9-1-2-10-25/h2*1-4,6,14,18H,5,7-13H2,(H,24,26,27);2*4-6,8,13-14H,1-3,7,9-12H2,(H,24,26,27)/t2*18-;2*14-/m1010/s1.
What are the key properties of (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione?
(3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione has a molecular weight of 1571.80 g/mol, XLogP of 11.91, 18 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3S)-3-[6-(2-morpholin-4-ylethyl)benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione;(3S)-3-[7-(2-pyrrolidin-1-ylethoxy)furo[3,2-f]quinolin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 157325135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).