2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione

C24H26N2O3 — CID 19085907

IUPAC2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C24H26N2O3/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-5-13-25-15-11-24(12-16-25)17-18-7-1-4-10-21(18)29-24/h1-4,7-10H,5-6,11-17H2
InChIKeySEVOVCGUGYMRBE-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.53
Rot. Bonds5

About 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione

2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione (PubChem CID 19085907) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
PubChem CID19085907
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CCC2(CC1)Cc1ccccc1O2
InChIInChI=1S/C24H26N2O3/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-5-13-25-15-11-24(12-16-25)17-18-7-1-4-10-21(18)29-24/h1-4,7-10H,5-6,11-17H2
InChIKeySEVOVCGUGYMRBE-UHFFFAOYSA-N
XLogP3.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione
CID 54443956
1'-(4-spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-ylbutyl)spiro[3,4-dihydrochromene-2,4'-piperidine]
CID 18700230
1'-decylspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12706469
1'-butylspiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704121
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
1'-(cyclopropylmethyl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 70607000
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[4-(6,7-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-oxobutyl]isoindole-1,3-dione
CID 108758208
spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440

Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione (CID 19085907) is 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCN1CCC2(CC1)Cc1ccccc1O2.
What is the InChIKey of 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
The InChIKey is SEVOVCGUGYMRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22-19-8-2-3-9-20(19)23(28)26(22)14-6-5-13-25-15-11-24(12-16-25)17-18-7-1-4-10-21(18)29-24/h1-4,7-10H,5-6,11-17H2.
What are the key properties of 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione?
2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione has a molecular weight of 390.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylbutyl)isoindole-1,3-dione is sourced from PubChem (CID 19085907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).