tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate

C24H33N3O4 — CID 170624626

IUPACtert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3C2CCC(=O)NC2=O)CC1
InChIInChI=1S/C24H33N3O4/c1-24(2,3)31-22(29)15-26-12-9-16(10-13-26)17-5-4-6-19-18(17)11-14-27(19)20-7-8-21(28)25-23(20)30/h4-6,16,20H,7-15H2,1-3H3,(H,25,28,30)
InChIKeyIDLACNAUGYKPCB-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.38
Rot. Bonds4

About tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate

tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate (PubChem CID 170624626) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
PubChem CID170624626
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nametert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3C2CCC(=O)NC2=O)CC1
InChIInChI=1S/C24H33N3O4/c1-24(2,3)31-22(29)15-26-12-9-16(10-13-26)17-5-4-6-19-18(17)11-14-27(19)20-7-8-21(28)25-23(20)30/h4-6,16,20H,7-15H2,1-3H3,(H,25,28,30)
InChIKeyIDLACNAUGYKPCB-UHFFFAOYSA-N
XLogP2.38
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate (CID 170624626) is tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate is CC(C)(C)OC(=O)CN1CCC(c2cccc3c2CCN3C2CCC(=O)NC2=O)CC1.
What is the InChIKey of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
The InChIKey is IDLACNAUGYKPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-24(2,3)31-22(29)15-26-12-9-16(10-13-26)17-5-4-6-19-18(17)11-14-27(19)20-7-8-21(28)25-23(20)30/h4-6,16,20H,7-15H2,1-3H3,(H,25,28,30).
What are the key properties of tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate?
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate has a molecular weight of 427.55 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 170624626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).