3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

C27H29N5O4 — CID 169201359

IUPAC3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILES[H]/N=C(/CN1CCC2(CC1)COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1N
InChIInChI=1S/C27H29N5O4/c28-20-4-2-1-3-17(20)21(29)14-31-11-9-27(10-12-31)15-36-24-18-13-32(22-7-8-23(33)30-25(22)34)26(35)16(18)5-6-19(24)27/h1-6,22,29H,7-15,28H2,(H,30,33,34)/b29-21-
InChIKeyPZIWDLYRKUFWMB-ANYBSYGZSA-N
MW487.56 g/mol
LogP1.82
Rot. Bonds4

About 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione

3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (PubChem CID 169201359) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
PubChem CID169201359
Molecular FormulaC27H29N5O4
Molecular Weight487.56 g/mol
Exact Mass487.22
IUPAC Name3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
SMILES[H]/N=C(/CN1CCC2(CC1)COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1N
InChIInChI=1S/C27H29N5O4/c28-20-4-2-1-3-17(20)21(29)14-31-11-9-27(10-12-31)15-36-24-18-13-32(22-7-8-23(33)30-25(22)34)26(35)16(18)5-6-19(24)27/h1-6,22,29H,7-15,28H2,(H,30,33,34)/b29-21-
InChIKeyPZIWDLYRKUFWMB-ANYBSYGZSA-N
XLogP1.82
TPSA128.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-oxo-1'-[[(1R,2R)-2-phenylcyclopropyl]methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 176808522
3-[1'-[[3-(hydroxymethyl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170279144
3-[1'-[(4,4-difluorocyclohexyl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201245
3-[1'-[(4-chloronaphthalen-1-yl)methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201224
3-[1'-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170279639
(3S)-3-[1'-[[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201474
3-[6-oxo-1'-[(2-oxo-1,3-dihydroindol-7-yl)methyl]spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201380
3-[1'-(isoquinolin-4-ylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201377
3-[1'-(2-bicyclo[2.2.1]heptanylmethyl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 169201118
3-[6-oxo-1'-(quinoxalin-5-ylmethyl)spiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 170278986
4-[[7-(2,6-dioxopiperidin-3-yl)-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-1'-yl]methyl]-N,N-dimethylbenzamide
CID 169201456
3-[1'-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione
CID 176808573

Frequently Asked Questions

What is the IUPAC name of 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione (CID 169201359) is 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is [H]/N=C(/CN1CCC2(CC1)COc1c2ccc2c1CN(C1CCC(=O)NC1=O)C2=O)c1ccccc1N.
What is the InChIKey of 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
The InChIKey is PZIWDLYRKUFWMB-ANYBSYGZSA-N. The full InChI is InChI=1S/C27H29N5O4/c28-20-4-2-1-3-17(20)21(29)14-31-11-9-27(10-12-31)15-36-24-18-13-32(22-7-8-23(33)30-25(22)34)26(35)16(18)5-6-19(24)27/h1-6,22,29H,7-15,28H2,(H,30,33,34)/b29-21-.
What are the key properties of 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione?
3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione has a molecular weight of 487.56 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1'-[2-(2-aminophenyl)-2-iminoethyl]-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl]piperidine-2,6-dione is sourced from PubChem (CID 169201359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).