(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen

C80H84Cl2F3N7O11 — CID 160856799

About (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen (PubChem CID 160856799) has the molecular formula C80H84Cl2F3N7O11 and a molecular weight of 1447.49 g/mol. Its IUPAC name is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen
• PubChem CID: 160856799
• Molecular Formula: C80H84Cl2F3N7O11
• Molecular Weight: 1447.49 g/mol
• Exact Mass: 1445.56
• IUPAC Name: (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen
• SMILES: CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1OC1CCC(O)C1.O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.[H][H]
• InChI: InChI=1S/C29H35N3O4.C28H29ClN2O5.C23H18ClF3N2O2.H2/c1-5-32-27-22-8-6-7-9-24(22)36-29(23(27)19-30-32)13-15-31(16-14-29)28(33)21-10-11-25(26(18-21)34-4)35-17-12-20(2)3;1-34-25-15-18(4-9-23(25)35-21-7-6-20(32)17-21)27(33)30-13-10-28(11-14-30)26-3-2-12-31(26)22-8-5-19(29)16-24(22)36-28;24-17-6-7-18-19(14-17)31-22(20-5-2-10-29(18)20)8-11-28(12-9-22)21(30)15-3-1-4-16(13-15)23(25,26)27;/h6-11,18-20H,5,12-17H2,1-4H3;2-5,8-9,12,15-16,20-21,32H,6-7,10-11,13-14,17H2,1H3;1-7,10,13-14H,8-9,11-12H2;1H
• InChIKey: SJYPSXBYKJKCPD-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 173.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1447.49
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen?

The IUPAC name of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen (CID 160856799) is (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen?

The canonical SMILES for (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen is CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)Oc2cc(Cl)ccc2-n2cccc23)ccc1OC1CCC(O)C1.O=C(c1cccc(C(F)(F)F)c1)N1CCC2(CC1)Oc1cc(Cl)ccc1-n1cccc12.[H][H].

What is the InChIKey of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen?

The InChIKey is SJYPSXBYKJKCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4.C28H29ClN2O5.C23H18ClF3N2O2.H2/c1-5-32-27-22-8-6-7-9-24(22)36-29(23(27)19-30-32)13-15-31(16-14-29)28(33)21-10-11-25(26(18-21)34-4)35-17-12-20(2)3;1-34-25-15-18(4-9-23(25)35-21-7-6-20(32)17-21)27(33)30-13-10-28(11-14-30)26-3-2-12-31(26)22-8-5-19(29)16-24(22)36-28;24-17-6-7-18-19(14-17)31-22(20-5-2-10-29(18)20)8-11-28(12-9-22)21(30)15-3-1-4-16(13-15)23(25,26)27;/h6-11,18-20H,5,12-17H2,1-4H3;2-5,8-9,12,15-16,20-21,32H,6-7,10-11,13-14,17H2,1H3;1-7,10,13-14H,8-9,11-12H2;1H.

What are the key properties of (7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen?

(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen has a molecular weight of 1447.49 g/mol, XLogP of 16.40, 12 rotatable bonds, 1 hydrogen bond donors, and 15 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-(3-hydroxycyclopentyl)oxy-3-methoxyphenyl]methanone;(7'-chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[3-(trifluoromethyl)phenyl]methanone;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[3-methoxy-4-(3-methylbutoxy)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 160856799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).