3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane

C27H37N3O4 — CID 178005512

IUPAC3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane
SMILESCC.CC.O=C1CCC(N2C(=O)C3(CC3)c3c2cccc3C23CC2(COC2CNC2)C3)C(=O)N1
InChIInChI=1S/C23H25N3O4.2C2H6/c27-17-5-4-16(19(28)25-17)26-15-3-1-2-14(18(15)22(6-7-22)20(26)29)23-10-21(23,11-23)12-30-13-8-24-9-13;2*1-2/h1-3,13,16,24H,4-12H2,(H,25,27,28);2*1-2H3
InChIKeyNXXUECRTNOKFMJ-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.94
Rot. Bonds5

About 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane

3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane (PubChem CID 178005512) has the molecular formula C27H37N3O4 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane
PubChem CID178005512
Molecular FormulaC27H37N3O4
Molecular Weight467.61 g/mol
Exact Mass467.28
IUPAC Name3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane
SMILESCC.CC.O=C1CCC(N2C(=O)C3(CC3)c3c2cccc3C23CC2(COC2CNC2)C3)C(=O)N1
InChIInChI=1S/C23H25N3O4.2C2H6/c27-17-5-4-16(19(28)25-17)26-15-3-1-2-14(18(15)22(6-7-22)20(26)29)23-10-21(23,11-23)12-30-13-8-24-9-13;2*1-2/h1-3,13,16,24H,4-12H2,(H,25,27,28);2*1-2H3
InChIKeyNXXUECRTNOKFMJ-UHFFFAOYSA-N
XLogP2.94
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane with MolForge

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Related Compounds

CID 178005333
CID 178005333
tert-butyl 3-[1-[1'-(2,6-dioxopiperidin-3-yl)-2'-oxospiro[cyclopropane-1,3'-indole]-4'-yl]azetidin-3-yl]azetidine-1-carboxylate;ethane
CID 178005412
3-(2'-oxo-5'-propylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 167471509
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
3-(2'-oxo-6'-propan-2-ylspiro[cyclopropane-1,3'-indole]-1'-yl)piperidine-2,6-dione
CID 170009867
3-(2'-oxo-5-piperazin-1-ylspiro[1,3-dihydroindene-2,3'-indole]-1'-yl)piperidine-2,6-dione
CID 171618731
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
5-[2-(azetidin-3-yloxy)ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 156867219
ethane;3-[7-ethyl-4-oxo-6-[(Z)-prop-1-enyl]-5-azaspiro[2.4]hept-6-en-5-yl]piperidine-2,6-dione
CID 176987678
3-(3,3-dimethyl-2-oxo-6-prop-2-enylindol-1-yl)piperidine-2,6-dione
CID 166946007
3-(2-oxo-6-piperazin-1-ylspiro[indole-3,4'-oxane]-1-yl)piperidine-2,6-dione
CID 171618726
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665

Frequently Asked Questions

What is the IUPAC name of 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane?
The IUPAC name of 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane (CID 178005512) is 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane?
The canonical SMILES for 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane is CC.CC.O=C1CCC(N2C(=O)C3(CC3)c3c2cccc3C23CC2(COC2CNC2)C3)C(=O)N1.
What is the InChIKey of 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane?
The InChIKey is NXXUECRTNOKFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4.2C2H6/c27-17-5-4-16(19(28)25-17)26-15-3-1-2-14(18(15)22(6-7-22)20(26)29)23-10-21(23,11-23)12-30-13-8-24-9-13;2*1-2/h1-3,13,16,24H,4-12H2,(H,25,27,28);2*1-2H3.
What are the key properties of 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane?
3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane has a molecular weight of 467.61 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4'-[3-(azetidin-3-yloxymethyl)-1-bicyclo[1.1.0]butanyl]-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]piperidine-2,6-dione;ethane is sourced from PubChem (CID 178005512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).