(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone

C99H95ClF6N10O14 — CID 161299225

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone (PubChem CID 161299225) has the molecular formula C99H95ClF6N10O14 and a molecular weight of 1798.35 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone
• PubChem CID: 161299225
• Molecular Formula: C99H95ClF6N10O14
• Molecular Weight: 1798.35 g/mol
• Exact Mass: 1796.66
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone
• SMILES: CC(=O)c1ccc2n1-c1ccccc1OC21CCN(C(=O)c2ccc(C(C)(C)O)cc2)CC1.CCOc1cc(OCC)cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.Cn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1
• InChI: InChI=1S/C27H28N2O4.C26H27ClN2O4.C23H19F4N3O3.C23H21F2N3O3/c1-18(30)21-12-13-24-27(33-23-7-5-4-6-22(23)29(21)24)14-16-28(17-15-27)25(31)19-8-10-20(11-9-19)26(2,3)32;1-3-31-20-14-18(15-21(17-20)32-4-2)25(30)28-12-9-26(10-13-28)24-6-5-11-29(24)22-8-7-19(27)16-23(22)33-26;1-29-20-16-12-14(24)6-7-19(16)32-22(17(20)13-28-29)8-10-30(11-9-22)21(31)15-4-2-3-5-18(15)33-23(25,26)27;1-27-20-15-6-2-5-9-19(15)31-23(17(20)14-26-27)10-12-28(13-11-23)21(29)16-7-3-4-8-18(16)30-22(24)25/h4-13,32H,14-17H2,1-3H3;5-8,11,14-17H,3-4,9-10,12-13H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-9,14,22H,10-13H2,1H3
• InChIKey: VHJQGSGWBBOANS-UHFFFAOYSA-N
• XLogP: 18.74
• TPSA: 237.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1798.35
LogP ≤ 5	18.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone (CID 161299225) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone is CC(=O)c1ccc2n1-c1ccccc1OC21CCN(C(=O)c2ccc(C(C)(C)O)cc2)CC1.CCOc1cc(OCC)cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.Cn1ncc2c1-c1cc(F)ccc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)F)CC1.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone?

The InChIKey is VHJQGSGWBBOANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4.C26H27ClN2O4.C23H19F4N3O3.C23H21F2N3O3/c1-18(30)21-12-13-24-27(33-23-7-5-4-6-22(23)29(21)24)14-16-28(17-15-27)25(31)19-8-10-20(11-9-19)26(2,3)32;1-3-31-20-14-18(15-21(17-20)32-4-2)25(30)28-12-9-26(10-13-28)24-6-5-11-29(24)22-8-7-19(27)16-23(22)33-26;1-29-20-16-12-14(24)6-7-19(16)32-22(17(20)13-28-29)8-10-30(11-9-22)21(31)15-4-2-3-5-18(15)33-23(25,26)27;1-27-20-15-6-2-5-9-19(15)31-23(17(20)14-26-27)10-12-28(13-11-23)21(29)16-7-3-4-8-18(16)30-22(24)25/h4-13,32H,14-17H2,1-3H3;5-8,11,14-17H,3-4,9-10,12-13H2,1-2H3;2-7,12-13H,8-11H2,1H3;2-9,14,22H,10-13H2,1H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone has a molecular weight of 1798.35 g/mol, XLogP of 18.74, 13 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3,5-diethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;(8-fluoro-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;1-[1-[4-(2-hydroxypropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-yl]ethanone is sourced from PubChem (CID 161299225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).