(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

C83H105F3N6O12 — CID 158536473

About (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (PubChem CID 158536473) has the molecular formula C83H105F3N6O12 and a molecular weight of 1435.78 g/mol. Its IUPAC name is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
• PubChem CID: 158536473
• Molecular Formula: C83H105F3N6O12
• Molecular Weight: 1435.78 g/mol
• Exact Mass: 1434.77
• IUPAC Name: (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
• SMILES: CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(CN4CCOCC4)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCOCC4)c(C)c3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3OCC(F)(F)F)CC2)C1
• InChI: InChI=1S/2C29H38N2O4.C25H29F3N2O4/c1-3-34-25-20-27(23-7-5-4-6-8-23)35-29(21-25)11-13-31(14-12-29)28(32)24-9-10-26(22(2)19-24)30-15-17-33-18-16-30;1-2-34-26-20-27(24-6-4-3-5-7-24)35-29(21-26)12-14-31(15-13-29)28(32)25-10-8-23(9-11-25)22-30-16-18-33-19-17-30;1-2-32-19-15-21(18-7-4-3-5-8-18)34-24(16-19)10-13-30(14-11-24)23(31)20-9-6-12-29-22(20)33-17-25(26,27)28/h4-10,19,25,27H,3,11-18,20-21H2,1-2H3;3-11,26-27H,2,12-22H2,1H3;3-9,12,19,21H,2,10-11,13-17H2,1H3
• InChIKey: HNZSAYTVFSZDPW-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 163.37 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.78
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?

The IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone (CID 158536473) is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone.

What is the SMILES notation for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?

The canonical SMILES for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(CN4CCOCC4)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCOCC4)c(C)c3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3cccnc3OCC(F)(F)F)CC2)C1.

What is the InChIKey of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?

The InChIKey is HNZSAYTVFSZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H38N2O4.C25H29F3N2O4/c1-3-34-25-20-27(23-7-5-4-6-8-23)35-29(21-25)11-13-31(14-12-29)28(32)24-9-10-26(22(2)19-24)30-15-17-33-18-16-30;1-2-34-26-20-27(24-6-4-3-5-7-24)35-29(21-26)12-14-31(15-13-29)28(32)25-10-8-23(9-11-25)22-30-16-18-33-19-17-30;1-2-32-19-15-21(18-7-4-3-5-8-18)34-24(16-19)10-13-30(14-11-24)23(31)20-9-6-12-29-22(20)33-17-25(26,27)28/h4-10,19,25,27H,3,11-18,20-21H2,1-2H3;3-11,26-27H,2,12-22H2,1H3;3-9,12,19,21H,2,10-11,13-17H2,1H3.

What are the key properties of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone?

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone has a molecular weight of 1435.78 g/mol, XLogP of 14.17, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methyl-4-morpholin-4-ylphenyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 158536473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).