cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate

C31H43N5O5 — CID 178145063

About cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate

cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate (PubChem CID 178145063) has the molecular formula C31H43N5O5 and a molecular weight of 565.72 g/mol. Its IUPAC name is cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate.

Molecular Properties

• Compound Name: cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
• PubChem CID: 178145063
• Molecular Formula: C31H43N5O5
• Molecular Weight: 565.72 g/mol
• Exact Mass: 565.33
• IUPAC Name: cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate
• SMILES: Cc1cnc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)nc1-2
• InChI: InChI=1S/C31H43N5O5/c1-20-15-24-26(32-17-20)25-23(31(40-24)10-13-34(14-11-31)27(37)39-19-21-7-8-21)18-36(33-25)22-9-12-35(30(5,6)16-22)28(38)41-29(2,3)4/h15,17-18,21-22H,7-14,16,19H2,1-6H3
• InChIKey: SOVGUAZXKSBDGG-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 99.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.72
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The IUPAC name of cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate (CID 178145063) is cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate.

What is the SMILES notation for cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The canonical SMILES for cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate is Cc1cnc2c(c1)OC1(CCN(C(=O)OCC3CC3)CC1)c1cn(C3CCN(C(=O)OC(C)(C)C)C(C)(C)C3)nc1-2.

What is the InChIKey of cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

The InChIKey is SOVGUAZXKSBDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O5/c1-20-15-24-26(32-17-20)25-23(31(40-24)10-13-34(14-11-31)27(37)39-19-21-7-8-21)18-36(33-25)22-9-12-35(30(5,6)16-22)28(38)41-29(2,3)4/h15,17-18,21-22H,7-14,16,19H2,1-6H3.

What are the key properties of cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate?

cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate has a molecular weight of 565.72 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropylmethyl 4-[2,2-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-11-methylspiro[8-oxa-3,4,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene-7,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 178145063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).