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

C23H31N3O4 — CID 170625609

IUPACtert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
SMILESCC(C)(C)OC(=O)CCC1CN(c2cccc3c2CCN3C2CCC(=O)NC2=O)C1
InChIInChI=1S/C23H31N3O4/c1-23(2,3)30-21(28)10-7-15-13-25(14-15)17-5-4-6-18-16(17)11-12-26(18)19-8-9-20(27)24-22(19)29/h4-6,15,19H,7-14H2,1-3H3,(H,24,27,29)
InChIKeyVWBPRVAEBXDWLR-UHFFFAOYSA-N
MW413.52 g/mol
LogP2.41
Rot. Bonds5

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

tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate (PubChem CID 170625609) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
PubChem CID170625609
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Nametert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate
SMILESCC(C)(C)OC(=O)CCC1CN(c2cccc3c2CCN3C2CCC(=O)NC2=O)C1
InChIInChI=1S/C23H31N3O4/c1-23(2,3)30-21(28)10-7-15-13-25(14-15)17-5-4-6-18-16(17)11-12-26(18)19-8-9-20(27)24-22(19)29/h4-6,15,19H,7-14H2,1-3H3,(H,24,27,29)
InChIKeyVWBPRVAEBXDWLR-UHFFFAOYSA-N
XLogP2.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidine-4-carboxylate
CID 170437347
tert-butyl 2-[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170625132
tert-butyl 2-[4-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]piperidin-1-yl]acetate
CID 170624626
(3R)-3-[5-[4-(2-hydroxyethyl)piperidin-1-yl]-3,4-dihydro-2H-quinolin-1-yl]piperidine-2,6-dione
CID 170437367
3-[4-(4-cyclohexylpiperazin-1-yl)-2,3-dihydroindol-1-yl]piperidine-2,6-dione
CID 170625343
tert-butyl N-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidin-4-yl]carbamate
CID 138467669
tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-2H-quinolin-5-yl]oxy]piperidin-1-yl]piperidine-1-carboxylate
CID 170450016
tert-butyl 7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]heptanoate
CID 171481123
tert-butyl 10-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]decanoate
CID 171481158
tert-butyl 3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]ethoxy]ethoxy]propanoate
CID 171481129
tert-butyl N-[1-[4-[(3S)-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1,4-benzoxazin-8-yl]piperidin-4-yl]-N-methylcarbamate
CID 170449913
tert-butyl 2-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]acetate
CID 172604882

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate?
The IUPAC name of tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate (CID 170625609) is tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate?
The canonical SMILES for tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate is CC(C)(C)OC(=O)CCC1CN(c2cccc3c2CCN3C2CCC(=O)NC2=O)C1.
What is the InChIKey of tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate?
The InChIKey is VWBPRVAEBXDWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-23(2,3)30-21(28)10-7-15-13-25(14-15)17-5-4-6-18-16(17)11-12-26(18)19-8-9-20(27)24-22(19)29/h4-6,15,19H,7-14H2,1-3H3,(H,24,27,29).
What are the key properties of tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate?
tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate has a molecular weight of 413.52 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-[1-(2,6-dioxopiperidin-3-yl)-2,3-dihydroindol-4-yl]azetidin-3-yl]propanoate is sourced from PubChem (CID 170625609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).