1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen

C98H92F6N14O10 — CID 158667256

About 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen

1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen (PubChem CID 158667256) has the molecular formula C98H92F6N14O10 and a molecular weight of 1739.89 g/mol. Its IUPAC name is 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen
• PubChem CID: 158667256
• Molecular Formula: C98H92F6N14O10
• Molecular Weight: 1739.89 g/mol
• Exact Mass: 1738.70
• IUPAC Name: 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen
• SMILES: CC(C)(N)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccnc3ccccc23)CC1.[H][H]
• InChI: InChI=1S/C26H26N4O2.C25H22N4O2.C24H22F3N3O3.C23H20F3N3O3.H2/c1-25(2,28)19-9-7-18(8-10-19)24(31)29-15-13-26(14-16-29)23-12-11-20(17-27)30(23)21-5-3-4-6-22(21)32-26;1-28-23-19-7-3-5-9-22(19)31-25(20(23)16-27-28)11-14-29(15-12-25)24(30)18-10-13-26-21-8-4-2-6-17(18)21;1-2-30-21-16-7-3-5-9-19(16)32-23(18(21)15-28-30)11-13-29(14-12-23)22(31)17-8-4-6-10-20(17)33-24(25,26)27;1-28-20-17-4-2-3-5-19(17)32-22(18(20)14-27-28)10-12-29(13-11-22)21(30)15-6-8-16(9-7-15)31-23(24,25)26;/h3-12H,13-16,28H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3;3-10,15H,2,11-14H2,1H3;2-9,14H,10-13H2,1H3;1H
• InChIKey: IDNBMCKRBNPABV-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 257.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1739.89
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?

The IUPAC name of 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen (CID 158667256) is 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?

The canonical SMILES for 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen is CC(C)(N)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-n2c(C#N)ccc23)cc1.CCn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2OC(F)(F)F)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccnc3ccccc23)CC1.[H][H].

What is the InChIKey of 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?

The InChIKey is IDNBMCKRBNPABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C25H22N4O2.C24H22F3N3O3.C23H20F3N3O3.H2/c1-25(2,28)19-9-7-18(8-10-19)24(31)29-15-13-26(14-16-29)23-12-11-20(17-27)30(23)21-5-3-4-6-22(21)32-26;1-28-23-19-7-3-5-9-22(19)31-25(20(23)16-27-28)11-14-29(15-12-25)24(30)18-10-13-26-21-8-4-2-6-17(18)21;1-2-30-21-16-7-3-5-9-19(16)32-23(18(21)15-28-30)11-13-29(14-12-23)22(31)17-8-4-6-10-20(17)33-24(25,26)27;1-28-20-17-4-2-3-5-19(17)32-22(18(20)14-27-28)10-12-29(13-11-22)21(30)15-6-8-16(9-7-15)31-23(24,25)26;/h3-12H,13-16,28H2,1-2H3;2-10,13,16H,11-12,14-15H2,1H3;3-10,15H,2,11-14H2,1H3;2-9,14H,10-13H2,1H3;1H.

What are the key properties of 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen?

1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen has a molecular weight of 1739.89 g/mol, XLogP of 17.97, 8 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopropan-2-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(1-ethylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[2-(trifluoromethoxy)phenyl]methanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-4-ylmethanone;(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 158667256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).