(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone

C82H101F6N5O12 — CID 159554146

About (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone (PubChem CID 159554146) has the molecular formula C82H101F6N5O12 and a molecular weight of 1462.72 g/mol. Its IUPAC name is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone
• PubChem CID: 159554146
• Molecular Formula: C82H101F6N5O12
• Molecular Weight: 1462.72 g/mol
• Exact Mass: 1461.74
• IUPAC Name: (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone
• SMILES: CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(COCC(F)(F)F)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(COCCC(F)(F)F)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCOCC4)nc3)CC2)C1
• InChI: InChI=1S/C28H34F3NO4.C27H32F3NO4.C27H35N3O4/c1-2-35-24-18-25(22-6-4-3-5-7-22)36-27(19-24)12-15-32(16-13-27)26(33)23-10-8-21(9-11-23)20-34-17-14-28(29,30)31;1-2-34-23-16-24(21-6-4-3-5-7-21)35-26(17-23)12-14-31(15-13-26)25(32)22-10-8-20(9-11-22)18-33-19-27(28,29)30;1-2-33-23-18-24(21-6-4-3-5-7-21)34-27(19-23)10-12-30(13-11-27)26(31)22-8-9-25(28-20-22)29-14-16-32-17-15-29/h3-11,24-25H,2,12-20H2,1H3;3-11,23-24H,2,12-19H2,1H3;3-9,20,23-24H,2,10-19H2,1H3
• InChIKey: MFTVVZHASDONMO-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 160.13 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1462.72
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone?

The IUPAC name of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone (CID 159554146) is (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone.

What is the SMILES notation for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone?

The canonical SMILES for (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone is CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(COCC(F)(F)F)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(COCCC(F)(F)F)cc3)CC2)C1.CCOC1CC(c2ccccc2)OC2(CCN(C(=O)c3ccc(N4CCOCC4)nc3)CC2)C1.

What is the InChIKey of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone?

The InChIKey is MFTVVZHASDONMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3NO4.C27H32F3NO4.C27H35N3O4/c1-2-35-24-18-25(22-6-4-3-5-7-22)36-27(19-24)12-15-32(16-13-27)26(33)23-10-8-21(9-11-23)20-34-17-14-28(29,30)31;1-2-34-23-16-24(21-6-4-3-5-7-21)35-26(17-23)12-14-31(15-13-26)25(32)22-10-8-20(9-11-22)18-33-19-27(28,29)30;1-2-33-23-18-24(21-6-4-3-5-7-21)34-27(19-23)10-12-30(13-11-27)26(31)22-8-9-25(28-20-22)29-14-16-32-17-15-29/h3-11,24-25H,2,12-20H2,1H3;3-11,23-24H,2,12-19H2,1H3;3-9,20,23-24H,2,10-19H2,1H3.

What are the key properties of (4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone?

(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone has a molecular weight of 1462.72 g/mol, XLogP of 15.63, 20 rotatable bonds, 0 hydrogen bond donors, and 14 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)-(6-morpholin-4-yl-3-pyridinyl)methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanone;(4-ethoxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone is sourced from PubChem (CID 159554146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).