tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate

C42H61N5O6 — CID 170755706

About tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate

tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate (PubChem CID 170755706) has the molecular formula C42H61N5O6 and a molecular weight of 731.98 g/mol. Its IUPAC name is tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate
• PubChem CID: 170755706
• Molecular Formula: C42H61N5O6
• Molecular Weight: 731.98 g/mol
• Exact Mass: 731.46
• IUPAC Name: tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate
• SMILES: C[C@@H](OCC1CCCCC1)[C@H](NC(=O)[C@@H]1CN(c2cccc3c2ccn3C(=O)OC(C)(C)C)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCCCC1
• InChI: InChI=1S/C42H61N5O6/c1-28(52-24-29-14-9-7-10-15-29)35(38(50)44-19-11-8-12-20-44)43-36(48)32-23-45(25-42(32)26-46(27-42)37(49)31-22-41(31,5)6)33-16-13-17-34-30(33)18-21-47(34)39(51)53-40(2,3)4/h13,16-18,21,28-29,31-32,35H,7-12,14-15,19-20,22-27H2,1-6H3,(H,43,48)/t28-,31-,32+,35+/m1/s1
• InChIKey: NZTGDWXPYUFPGF-WVULCPSSSA-N
• XLogP: 6.22
• TPSA: 113.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.98
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate?

The IUPAC name of tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate (CID 170755706) is tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate?

The canonical SMILES for tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate is C[C@@H](OCC1CCCCC1)[C@H](NC(=O)[C@@H]1CN(c2cccc3c2ccn3C(=O)OC(C)(C)C)CC12CN(C(=O)[C@H]1CC1(C)C)C2)C(=O)N1CCCCC1.

What is the InChIKey of tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate?

The InChIKey is NZTGDWXPYUFPGF-WVULCPSSSA-N. The full InChI is InChI=1S/C42H61N5O6/c1-28(52-24-29-14-9-7-10-15-29)35(38(50)44-19-11-8-12-20-44)43-36(48)32-23-45(25-42(32)26-46(27-42)37(49)31-22-41(31,5)6)33-16-13-17-34-30(33)18-21-47(34)39(51)53-40(2,3)4/h13,16-18,21,28-29,31-32,35H,7-12,14-15,19-20,22-27H2,1-6H3,(H,43,48)/t28-,31-,32+,35+/m1/s1.

What are the key properties of tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate?

tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate has a molecular weight of 731.98 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(5S)-5-[[(2S,3R)-3-(cyclohexylmethoxy)-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]-2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-2,7-diazaspiro[3.4]octan-7-yl]indole-1-carboxylate is sourced from PubChem (CID 170755706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).