2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione

C37H35N3O3 — CID 67667207

IUPAC2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2
InChIInChI=1S/C37H35N3O3/c41-34-30-15-7-8-16-31(30)35(42)40(34)24-20-28-12-9-17-32-33(28)37(36(43)38-32,29-13-5-2-6-14-29)21-25-39-22-18-27(19-23-39)26-10-3-1-4-11-26/h1-17,27H,18-25H2,(H,38,43)
InChIKeyIWEOVNGZPVXRBT-UHFFFAOYSA-N
MW569.71 g/mol
LogP6.03
Rot. Bonds8

About 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione

2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione (PubChem CID 67667207) has the molecular formula C37H35N3O3 and a molecular weight of 569.71 g/mol. Its IUPAC name is 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
PubChem CID67667207
Molecular FormulaC37H35N3O3
Molecular Weight569.71 g/mol
Exact Mass569.27
IUPAC Name2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2
InChIInChI=1S/C37H35N3O3/c41-34-30-15-7-8-16-31(30)35(42)40(34)24-20-28-12-9-17-32-33(28)37(36(43)38-32,29-13-5-2-6-14-29)21-25-39-22-18-27(19-23-39)26-10-3-1-4-11-26/h1-17,27H,18-25H2,(H,38,43)
InChIKeyIWEOVNGZPVXRBT-UHFFFAOYSA-N
XLogP6.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(dimethylamino)propyl]-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one;dihydrochloride
CID 67670604
2-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]isoindole-1,3-dione
CID 57118627
6-(diethylamino)-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-2-one
CID 67669564
1-ethyl-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-2-one;hydrochloride
CID 139786250
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
2-[5-(4-phenylpiperidin-1-yl)pentyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 19813050
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
2-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 67551830
5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
CID 139786241
(4R)-8-[3-(1,3-dioxoisoindol-2-yl)propyl]-4-phenyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 95802429
ethyl 4-[3-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]propyl]piperazine-1-carboxylate;dihydrochloride
CID 139786162

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione (CID 67667207) is 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1cccc2c1C(CCN1CCC(c3ccccc3)CC1)(c1ccccc1)C(=O)N2.
What is the InChIKey of 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione?
The InChIKey is IWEOVNGZPVXRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N3O3/c41-34-30-15-7-8-16-31(30)35(42)40(34)24-20-28-12-9-17-32-33(28)37(36(43)38-32,29-13-5-2-6-14-29)21-25-39-22-18-27(19-23-39)26-10-3-1-4-11-26/h1-17,27H,18-25H2,(H,38,43).
What are the key properties of 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione?
2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione has a molecular weight of 569.71 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]-1H-indol-4-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 67667207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).