(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

C100H100ClF4N9O17 — CID 161206465

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (PubChem CID 161206465) has the molecular formula C100H100ClF4N9O17 and a molecular weight of 1811.39 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• PubChem CID: 161206465
• Molecular Formula: C100H100ClF4N9O17
• Molecular Weight: 1811.39 g/mol
• Exact Mass: 1809.69
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• SMILES: CCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCOC(F)(F)F.COc1cc(F)c(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1OC.COc1ccc(OC)c(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1
• InChI: InChI=1S/C26H25F3N2O5.C26H29N3O4.C24H23ClN2O4.C24H23FN2O4/c1-33-22-17-18(8-9-21(22)34-15-16-35-26(27,28)29)24(32)30-13-10-25(11-14-30)23-7-4-12-31(23)19-5-2-3-6-20(19)36-25;1-4-15-32-22-10-9-18(16-23(22)31-3)25(30)29-13-11-26(12-14-29)20-17-27-28(2)24(20)19-7-5-6-8-21(19)33-26;1-29-17-6-8-20(30-2)18(15-17)23(28)26-12-9-24(10-13-26)22-4-3-11-27(22)19-7-5-16(25)14-21(19)31-24;1-29-20-14-16(17(25)15-21(20)30-2)23(28)26-12-9-24(10-13-26)22-8-5-11-27(22)18-6-3-4-7-19(18)31-24/h2-9,12,17H,10-11,13-16H2,1H3;5-10,16-17H,4,11-15H2,1-3H3;2*3-8,11,14-15H,9-10,12-13H2,1-2H3
• InChIKey: UVQXFWOTHDGDIA-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 233.84 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1811.39
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (CID 161206465) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is CCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1OC.COc1cc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)ccc1OCCOC(F)(F)F.COc1cc(F)c(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1OC.COc1ccc(OC)c(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The InChIKey is UVQXFWOTHDGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O5.C26H29N3O4.C24H23ClN2O4.C24H23FN2O4/c1-33-22-17-18(8-9-21(22)34-15-16-35-26(27,28)29)24(32)30-13-10-25(11-14-30)23-7-4-12-31(23)19-5-2-3-6-20(19)36-25;1-4-15-32-22-10-9-18(16-23(22)31-3)25(30)29-13-11-26(12-14-29)20-17-27-28(2)24(20)19-7-5-6-8-21(19)33-26;1-29-17-6-8-20(30-2)18(15-17)23(28)26-12-9-24(10-13-26)22-4-3-11-27(22)19-7-5-16(25)14-21(19)31-24;1-29-20-14-16(17(25)15-21(20)30-2)23(28)26-12-9-24(10-13-26)22-8-5-11-27(22)18-6-3-4-7-19(18)31-24/h2-9,12,17H,10-11,13-16H2,1H3;5-10,16-17H,4,11-15H2,1-3H3;2*3-8,11,14-15H,9-10,12-13H2,1-2H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone has a molecular weight of 1811.39 g/mol, XLogP of 18.16, 17 rotatable bonds, 0 hydrogen bond donors, and 22 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)-(2,5-dimethoxyphenyl)methanone;(2-fluoro-4,5-dimethoxyphenyl)-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;(3-methoxy-4-propoxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is sourced from PubChem (CID 161206465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).