1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

C124H140F18N20O20S — CID 159270987

About 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 159270987) has the molecular formula C124H140F18N20O20S and a molecular weight of 2604.63 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 159270987
• Molecular Formula: C124H140F18N20O20S
• Molecular Weight: 2604.63 g/mol
• Exact Mass: 2603.00
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3[nH]ccc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3nccn3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3ocnc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3scnc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nc3ccccc3o2)CC1)C(F)(F)F
• InChI: InChI=1S/C23H27F3N4O3.C21H24F3N3O3.C20H23F3N4O3.2C20H22F3N3O4.C20H22F3N3O3S/c1-17(23(24,25)26)33-21(32)28-12-9-22(10-13-28)8-5-11-30(22)20(31)19-14-27-29(16-19)15-18-6-3-2-4-7-18;1-14(21(22,23)24)30-19(29)26-11-7-20(8-12-26)6-2-10-27(20)18(28)16-3-4-17-15(13-16)5-9-25-17;1-14(20(21,22)23)30-18(29)25-10-6-19(7-11-25)5-2-9-27(19)17(28)15-3-4-16-24-8-12-26(16)13-15;1-13(20(21,22)23)30-18(28)25-9-6-19(7-10-25)5-2-8-26(19)17(27)14-3-4-16-15(11-14)24-12-29-16;1-13(20(21,22)23)29-18(28)25-11-8-19(9-12-25)7-4-10-26(19)17(27)16-24-14-5-2-3-6-15(14)30-16;1-13(20(21,22)23)29-18(28)25-9-6-19(7-10-25)5-2-8-26(19)17(27)14-3-4-16-15(11-14)24-12-30-16/h2-4,6-7,14,16-17H,5,8-13,15H2,1H3;3-5,9,13-14,25H,2,6-8,10-12H2,1H3;3-4,8,12-14H,2,5-7,9-11H2,1H3;3-4,11-13H,2,5-10H2,1H3;2-3,5-6,13H,4,7-12H2,1H3;3-4,11-13H,2,5-10H2,1H3
• InChIKey: KXSDPCXBULKWGN-UHFFFAOYSA-N
• XLogP: 24.33
• TPSA: 414.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2604.63
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 159270987) is 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3[nH]ccc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3nccn3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3ocnc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2ccc3scnc3c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnn(Cc3ccccc3)c2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nc3ccccc3o2)CC1)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is KXSDPCXBULKWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4O3.C21H24F3N3O3.C20H23F3N4O3.2C20H22F3N3O4.C20H22F3N3O3S/c1-17(23(24,25)26)33-21(32)28-12-9-22(10-13-28)8-5-11-30(22)20(31)19-14-27-29(16-19)15-18-6-3-2-4-7-18;1-14(21(22,23)24)30-19(29)26-11-7-20(8-12-26)6-2-10-27(20)18(28)16-3-4-17-15(13-16)5-9-25-17;1-14(20(21,22)23)30-18(29)25-10-6-19(7-11-25)5-2-9-27(19)17(28)15-3-4-16-24-8-12-26(16)13-15;1-13(20(21,22)23)30-18(28)25-9-6-19(7-10-25)5-2-8-26(19)17(27)14-3-4-16-15(11-14)24-12-29-16;1-13(20(21,22)23)29-18(28)25-11-8-19(9-12-25)7-4-10-26(19)17(27)16-24-14-5-2-3-6-15(14)30-16;1-13(20(21,22)23)29-18(28)25-9-6-19(7-10-25)5-2-8-26(19)17(27)14-3-4-16-15(11-14)24-12-30-16/h2-4,6-7,14,16-17H,5,8-13,15H2,1H3;3-5,9,13-14,25H,2,6-8,10-12H2,1H3;3-4,8,12-14H,2,5-7,9-11H2,1H3;3-4,11-13H,2,5-10H2,1H3;2-3,5-6,13H,4,7-12H2,1H3;3-4,11-13H,2,5-10H2,1H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2604.63 g/mol, XLogP of 24.33, 14 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 1-(1,3-benzothiazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1,3-benzoxazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1-benzylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyridine-6-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(1H-indole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 159270987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).