(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile

C81H80F5N7O11 — CID 158965342

About (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile

(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile (PubChem CID 158965342) has the molecular formula C81H80F5N7O11 and a molecular weight of 1422.56 g/mol. Its IUPAC name is (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile.

Molecular Properties

• Compound Name: (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile
• PubChem CID: 158965342
• Molecular Formula: C81H80F5N7O11
• Molecular Weight: 1422.56 g/mol
• Exact Mass: 1421.58
• IUPAC Name: (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile
• SMILES: CCCOc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C(F)(F)F.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1OCC1CCCO1.Cc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12
• InChI: InChI=1S/C28H29FN2O5.C27H27N3O3.C26H24F4N2O3/c1-33-25-16-19(6-9-23(25)35-18-21-4-3-15-34-21)27(32)30-13-10-28(11-14-30)26-5-2-12-31(26)22-8-7-20(29)17-24(22)36-28;1-18-16-19(26(2,3)32)8-10-21(18)25(31)29-14-12-27(13-15-29)24-11-9-20(17-28)30(24)22-6-4-5-7-23(22)33-27;1-2-14-34-21-8-5-17(15-19(21)26(28,29)30)24(33)31-12-9-25(10-13-31)23-4-3-11-32(23)20-7-6-18(27)16-22(20)35-25/h2,5-9,12,16-17,21H,3-4,10-11,13-15,18H2,1H3;4-11,16,32H,12-15H2,1-3H3;3-8,11,15-16H,2,9-10,12-14H2,1H3
• InChIKey: JNCZRJALJRLKLZ-UHFFFAOYSA-N
• XLogP: 15.06
• TPSA: 184.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.56
LogP ≤ 5	15.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile?

The IUPAC name of (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile (CID 158965342) is (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile.

What is the SMILES notation for (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile?

The canonical SMILES for (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile is CCCOc1ccc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)cc1C(F)(F)F.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(F)ccc2-n2cccc23)ccc1OCC1CCCO1.Cc1cc(C(C)(C)O)ccc1C(=O)N1CCC2(CC1)Oc1ccccc1-n1c(C#N)ccc12.

What is the InChIKey of (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile?

The InChIKey is JNCZRJALJRLKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O5.C27H27N3O3.C26H24F4N2O3/c1-33-25-16-19(6-9-23(25)35-18-21-4-3-15-34-21)27(32)30-13-10-28(11-14-30)26-5-2-12-31(26)22-8-7-20(29)17-24(22)36-28;1-18-16-19(26(2,3)32)8-10-21(18)25(31)29-14-12-27(13-15-29)24-11-9-20(17-28)30(24)22-6-4-5-7-23(22)33-27;1-2-14-34-21-8-5-17(15-19(21)26(28,29)30)24(33)31-12-9-25(10-13-31)23-4-3-11-32(23)20-7-6-18(27)16-22(20)35-25/h2,5-9,12,16-17,21H,3-4,10-11,13-15,18H2,1H3;4-11,16,32H,12-15H2,1-3H3;3-8,11,15-16H,2,9-10,12-14H2,1H3.

What are the key properties of (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile?

(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile has a molecular weight of 1422.56 g/mol, XLogP of 15.06, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methanone;(7'-fluorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-propoxy-3-(trifluoromethyl)phenyl]methanone;1-[4-(2-hydroxypropan-2-yl)-2-methylbenzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile is sourced from PubChem (CID 158965342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).