23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione

C32H39F3N8O4 — CID 51352486

IUPAC23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione
SMILESO=C1NC(C2CCCNC2)C(=O)NCCCCCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2
InChIInChI=1S/C32H39F3N8O4/c33-32(34,35)20-47-31-42-29-38-18-21-7-13-25(14-8-21)46-17-4-2-1-3-16-37-28(45)26(23-6-5-15-36-19-23)40-27(44)22-9-11-24(12-10-22)39-30(41-29)43-31/h7-14,23,26,36H,1-6,15-20H2,(H,37,45)(H,40,44)(H2,38,39,41,42,43)
InChIKeyOBIGOXBYMDSRAF-UHFFFAOYSA-N
MW656.71 g/mol
LogP4.34
Rot. Bonds3

About 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione

23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione (PubChem CID 51352486) has the molecular formula C32H39F3N8O4 and a molecular weight of 656.71 g/mol. Its IUPAC name is 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione.

Molecular Properties

Compound Name23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione
PubChem CID51352486
Molecular FormulaC32H39F3N8O4
Molecular Weight656.71 g/mol
Exact Mass656.30
IUPAC Name23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione
SMILESO=C1NC(C2CCCNC2)C(=O)NCCCCCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2
InChIInChI=1S/C32H39F3N8O4/c33-32(34,35)20-47-31-42-29-38-18-21-7-13-25(14-8-21)46-17-4-2-1-3-16-37-28(45)26(23-6-5-15-36-19-23)40-27(44)22-9-11-24(12-10-22)39-30(41-29)43-31/h7-14,23,26,36H,1-6,15-20H2,(H,37,45)(H,40,44)(H2,38,39,41,42,43)
InChIKeyOBIGOXBYMDSRAF-UHFFFAOYSA-N
XLogP4.34
TPSA151.42 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.71
LogP ≤ 54.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione?
The IUPAC name of 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione (CID 51352486) is 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione.
What is the SMILES notation for 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione?
The canonical SMILES for 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione is O=C1NC(C2CCCNC2)C(=O)NCCCCCCOc2ccc(cc2)CNc2nc(nc(OCC(F)(F)F)n2)Nc2ccc1cc2.
What is the InChIKey of 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione?
The InChIKey is OBIGOXBYMDSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F3N8O4/c33-32(34,35)20-47-31-42-29-38-18-21-7-13-25(14-8-21)46-17-4-2-1-3-16-37-28(45)26(23-6-5-15-36-19-23)40-27(44)22-9-11-24(12-10-22)39-30(41-29)43-31/h7-14,23,26,36H,1-6,15-20H2,(H,37,45)(H,40,44)(H2,38,39,41,42,43).
What are the key properties of 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione?
23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione has a molecular weight of 656.71 g/mol, XLogP of 4.34, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 23-piperidin-3-yl-5-(2,2,2-trifluoroethoxy)-14-oxa-2,4,6,8,21,24,33-heptazatetracyclo[24.2.2.210,13.13,7]tritriaconta-1(28),3,5,7(33),10(32),11,13(31),26,29-nonaene-22,25-dione is sourced from PubChem (CID 51352486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).