[2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

C102H94Cl2F9N11O12 — CID 159206279

About [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone

[2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (PubChem CID 159206279) has the molecular formula C102H94Cl2F9N11O12 and a molecular weight of 1907.83 g/mol. Its IUPAC name is [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

Molecular Properties

• Compound Name: [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• PubChem CID: 159206279
• Molecular Formula: C102H94Cl2F9N11O12
• Molecular Weight: 1907.83 g/mol
• Exact Mass: 1905.63
• IUPAC Name: [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1Cl.CCOCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C(F)(F)F.Cc1cccc(-c2cc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)no2)c1.O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12
• InChI: InChI=1S/C27H27F3N2O4.C26H24N4O3.C25H26ClN3O3.C24H17ClF6N2O2/c1-2-34-16-17-35-22-10-9-19(18-20(22)27(28,29)30)25(33)31-14-11-26(12-15-31)24-8-5-13-32(24)21-6-3-4-7-23(21)36-26;1-17-6-5-7-18(14-17)23-15-21(28-33-23)25(31)30-12-10-26(11-13-30)20-16-27-29(2)24(20)19-8-3-4-9-22(19)32-26;1-16(2)31-22-9-8-17(14-20(22)26)24(30)29-12-10-25(11-13-29)19-15-27-28(3)23(19)18-6-4-5-7-21(18)32-25;25-15-4-6-18-19(13-15)35-22(20-2-1-9-33(18)20)7-10-32(11-8-22)21(34)16-5-3-14(23(26,27)28)12-17(16)24(29,30)31/h3-10,13,18H,2,11-12,14-17H2,1H3;3-9,14-16H,10-13H2,1-2H3;4-9,14-16H,10-13H2,1-3H3;1-6,9,12-13H,7-8,10-11H2
• InChIKey: KPXUTJWDPXVVDW-UHFFFAOYSA-N
• XLogP: 21.75
• TPSA: 217.38 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.83
LogP ≤ 5	21.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The IUPAC name of [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone (CID 159206279) is [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone.

What is the SMILES notation for [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The canonical SMILES for [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1Cl.CCOCCOc1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2cccc23)cc1C(F)(F)F.Cc1cccc(-c2cc(C(=O)N3CCC4(CC3)Oc3ccccc3-c3c4cnn3C)no2)c1.O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.

What is the InChIKey of [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

The InChIKey is KPXUTJWDPXVVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O4.C26H24N4O3.C25H26ClN3O3.C24H17ClF6N2O2/c1-2-34-16-17-35-22-10-9-19(18-20(22)27(28,29)30)25(33)31-14-11-26(12-15-31)24-8-5-13-32(24)21-6-3-4-7-23(21)36-26;1-17-6-5-7-18(14-17)23-15-21(28-33-23)25(31)30-12-10-26(11-13-30)20-16-27-29(2)24(20)19-8-3-4-9-22(19)32-26;1-16(2)31-22-9-8-17(14-20(22)26)24(30)29-12-10-25(11-13-29)19-15-27-28(3)23(19)18-6-4-5-7-21(18)32-25;25-15-4-6-18-19(13-15)35-22(20-2-1-9-33(18)20)7-10-32(11-8-22)21(34)16-5-3-14(23(26,27)28)12-17(16)24(29,30)31/h3-10,13,18H,2,11-12,14-17H2,1H3;3-9,14-16H,10-13H2,1-2H3;4-9,14-16H,10-13H2,1-3H3;1-6,9,12-13H,7-8,10-11H2.

What are the key properties of [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone?

[2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone has a molecular weight of 1907.83 g/mol, XLogP of 21.75, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-bis(trifluoromethyl)phenyl]-(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone;(3-chloro-4-propan-2-yloxyphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[4-(2-ethoxyethoxy)-3-(trifluoromethyl)phenyl]-spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-ylmethanone;[5-(3-methylphenyl)-1,2-oxazol-3-yl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 159206279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).