(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone

C97H86ClF9N10O13 — CID 160920821

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (PubChem CID 160920821) has the molecular formula C97H86ClF9N10O13 and a molecular weight of 1806.25 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• PubChem CID: 160920821
• Molecular Formula: C97H86ClF9N10O13
• Molecular Weight: 1806.25 g/mol
• Exact Mass: 1804.59
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone
• SMILES: CCOc1cccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.COc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2c(C#N)ccc23)cc1C(F)(F)F.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C(F)(F)F.COc1ccc2c(c1)-c1c(cnn1C)C1(CCN(C(=O)c3ccccc3OC(F)F)CC1)O2
• InChI: InChI=1S/C25H19F4N3O3.C24H23ClN2O3.C24H21F3N2O3.C24H23F2N3O4/c1-34-20-6-2-15(12-18(20)25(27,28)29)23(33)31-10-8-24(9-11-31)22-7-4-17(14-30)32(22)19-5-3-16(26)13-21(19)35-24;1-2-29-19-6-3-5-17(15-19)23(28)26-13-10-24(11-14-26)22-7-4-12-27(22)20-9-8-18(25)16-21(20)30-24;1-31-19-9-8-16(15-17(19)24(25,26)27)22(30)28-13-10-23(11-14-28)21-7-4-12-29(21)18-5-2-3-6-20(18)32-23;1-28-21-17-13-15(31-2)7-8-20(17)33-24(18(21)14-27-28)9-11-29(12-10-24)22(30)16-5-3-4-6-19(16)32-23(25)26/h2-7,12-13H,8-11H2,1H3;3-9,12,15-16H,2,10-11,13-14H2,1H3;2-9,12,15H,10-11,13-14H2,1H3;3-8,13-14,23H,9-12H2,1-2H3
• InChIKey: SRZSJCSFCMWIAC-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 220.71 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.25
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone (CID 160920821) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is CCOc1cccc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)c1.COc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2c(C#N)ccc23)cc1C(F)(F)F.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C(F)(F)F.COc1ccc2c(c1)-c1c(cnn1C)C1(CCN(C(=O)c3ccccc3OC(F)F)CC1)O2.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone?

The InChIKey is SRZSJCSFCMWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O3.C24H23ClN2O3.C24H21F3N2O3.C24H23F2N3O4/c1-34-20-6-2-15(12-18(20)25(27,28)29)23(33)31-10-8-24(9-11-31)22-7-4-17(14-30)32(22)19-5-3-16(26)13-21(19)35-24;1-2-29-19-6-3-5-17(15-19)23(28)26-13-10-24(11-14-26)22-7-4-12-27(22)20-9-8-18(25)16-21(20)30-24;1-31-19-9-8-16(15-17(19)24(25,26)27)22(30)28-13-10-23(11-14-28)21-7-4-12-29(21)18-5-2-3-6-20(18)32-23;1-28-21-17-13-15(31-2)7-8-20(17)33-24(18(21)14-27-28)9-11-29(12-10-24)22(30)16-5-3-4-6-19(16)32-23(25)26/h2-7,12-13H,8-11H2,1H3;3-9,12,15-16H,2,10-11,13-14H2,1H3;2-9,12,15H,10-11,13-14H2,1H3;3-8,13-14,23H,9-12H2,1-2H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)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)-(3-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone has a molecular weight of 1806.25 g/mol, XLogP of 19.34, 11 rotatable bonds, 0 hydrogen bond donors, and 19 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-ethoxyphenyl)methanone;[2-(difluoromethoxy)phenyl]-(8-methoxy-1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;7'-fluoro-1-[4-methoxy-3-(trifluoromethyl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;[4-methoxy-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone is sourced from PubChem (CID 160920821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).