(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone

C103H105ClF5N9O14 — CID 161030253

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone (PubChem CID 161030253) has the molecular formula C103H105ClF5N9O14 and a molecular weight of 1823.46 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone
• PubChem CID: 161030253
• Molecular Formula: C103H105ClF5N9O14
• Molecular Weight: 1823.46 g/mol
• Exact Mass: 1821.74
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone
• SMILES: COC(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C.COc1cc(C(=O)N2CCC3(CC2)Oc2cccnc2-n2cccc23)ccc1OCCC(C)C.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)c(OC)c1OC.Cc1cc(F)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12
• InChI: InChI=1S/C27H29FN2O3.C27H31N3O4.C26H25F3N2O5.C23H20ClFN2O2/c1-18-16-19(7-9-21(18)26(2,3)32-4)25(31)29-14-11-27(12-15-29)24-6-5-13-30(24)22-10-8-20(28)17-23(22)33-27;1-19(2)10-17-33-21-9-8-20(18-23(21)32-3)26(31)29-15-11-27(12-16-29)24-7-5-14-30(24)25-22(34-27)6-4-13-28-25;1-33-19-9-8-16(22(34-2)23(19)35-3)24(32)30-14-12-25(13-15-30)20-10-11-21(26(27,28)29)31(20)17-6-4-5-7-18(17)36-25;1-15-13-17(25)5-6-18(15)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)19-7-4-16(24)14-20(19)29-23/h5-10,13,16-17H,11-12,14-15H2,1-4H3;4-9,13-14,18-19H,10-12,15-17H2,1-3H3;4-11H,12-15H2,1-3H3;2-7,10,13-14H,8-9,11-12H2,1H3
• InChIKey: TZNBQRHQMUQXKO-UHFFFAOYSA-N
• XLogP: 20.31
• TPSA: 206.15 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.46
LogP ≤ 5	20.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', '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)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone (CID 161030253) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone is COC(C)(C)c1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C.COc1cc(C(=O)N2CCC3(CC2)Oc2cccnc2-n2cccc23)ccc1OCCC(C)C.COc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C(F)(F)F)ccc23)c(OC)c1OC.Cc1cc(F)ccc1C(=O)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone?

The InChIKey is TZNBQRHQMUQXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O3.C27H31N3O4.C26H25F3N2O5.C23H20ClFN2O2/c1-18-16-19(7-9-21(18)26(2,3)32-4)25(31)29-14-11-27(12-15-29)24-6-5-13-30(24)22-10-8-20(28)17-23(22)33-27;1-19(2)10-17-33-21-9-8-20(18-23(21)32-3)26(31)29-15-11-27(12-16-29)24-7-5-14-30(24)25-22(34-27)6-4-13-28-25;1-33-19-9-8-16(22(34-2)23(19)35-3)24(32)30-14-12-25(13-15-30)20-10-11-21(26(27,28)29)31(20)17-6-4-5-7-18(17)36-25;1-15-13-17(25)5-6-18(15)22(28)26-11-8-23(9-12-26)21-3-2-10-27(21)19-7-4-16(24)14-20(19)29-23/h5-10,13,16-17H,11-12,14-15H2,1-4H3;4-9,13-14,18-19H,10-12,15-17H2,1-3H3;4-11H,12-15H2,1-3H3;2-7,10,13-14H,8-9,11-12H2,1H3.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone has a molecular weight of 1823.46 g/mol, XLogP of 20.31, 14 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)-(4-fluoro-2-methylphenyl)methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(2-methoxypropan-2-yl)-3-methylphenyl]methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-spiro[8-oxa-2,13-diazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene-7,4'-piperidine]-1'-ylmethanone;[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]-(2,3,4-trimethoxyphenyl)methanone is sourced from PubChem (CID 161030253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).