tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate

C30H41N5O5 — CID 177302156

About tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate

tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 177302156) has the molecular formula C30H41N5O5 and a molecular weight of 551.69 g/mol. Its IUPAC name is tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 177302156
• Molecular Formula: C30H41N5O5
• Molecular Weight: 551.69 g/mol
• Exact Mass: 551.31
• IUPAC Name: tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc4c(c3)C3(CC3)C(=O)N4C3CCC(=O)NC3=O)CC2)CC1
• InChI: InChI=1S/C30H41N5O5/c1-29(2,3)40-28(39)34-12-8-20(9-13-34)19-32-14-16-33(17-15-32)21-4-5-23-22(18-21)30(10-11-30)27(38)35(23)24-6-7-25(36)31-26(24)37/h4-5,18,20,24H,6-17,19H2,1-3H3,(H,31,36,37)
• InChIKey: JRPLUBIIHATSIB-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 102.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.69
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate (CID 177302156) is tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN2CCN(c3ccc4c(c3)C3(CC3)C(=O)N4C3CCC(=O)NC3=O)CC2)CC1.

What is the InChIKey of tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate?

The InChIKey is JRPLUBIIHATSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O5/c1-29(2,3)40-28(39)34-12-8-20(9-13-34)19-32-14-16-33(17-15-32)21-4-5-23-22(18-21)30(10-11-30)27(38)35(23)24-6-7-25(36)31-26(24)37/h4-5,18,20,24H,6-17,19H2,1-3H3,(H,31,36,37).

What are the key properties of tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate?

tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 551.69 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[4-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-5'-yl]piperazin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 177302156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).