1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione

C28H29FN4O3 — CID 155528236

IUPAC1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(c5c[nH]c6ccc(F)cc56)CC4)C3=O)c2c1
InChIInChI=1S/C28H29FN4O3/c1-36-19-3-5-26-21(13-19)24(16-31-26)22-14-27(34)33(28(22)35)11-10-32-8-6-17(7-9-32)23-15-30-25-4-2-18(29)12-20(23)25/h2-5,12-13,15-17,22,30-31H,6-11,14H2,1H3
InChIKeyZKVFZUYVFTZTHC-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.52
Rot. Bonds6

About 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione

1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 155528236) has the molecular formula C28H29FN4O3 and a molecular weight of 488.56 g/mol. Its IUPAC name is 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID155528236
Molecular FormulaC28H29FN4O3
Molecular Weight488.56 g/mol
Exact Mass488.22
IUPAC Name1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESCOc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(c5c[nH]c6ccc(F)cc56)CC4)C3=O)c2c1
InChIInChI=1S/C28H29FN4O3/c1-36-19-3-5-26-21(13-19)24(16-31-26)22-14-27(34)33(28(22)35)11-10-32-8-6-17(7-9-32)23-15-30-25-4-2-18(29)12-20(23)25/h2-5,12-13,15-17,22,30-31H,6-11,14H2,1H3
InChIKeyZKVFZUYVFTZTHC-UHFFFAOYSA-N
XLogP4.52
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 155528236) is 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is COc1ccc2[nH]cc(C3CC(=O)N(CCN4CCC(c5c[nH]c6ccc(F)cc56)CC4)C3=O)c2c1.
What is the InChIKey of 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is ZKVFZUYVFTZTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O3/c1-36-19-3-5-26-21(13-19)24(16-31-26)22-14-27(34)33(28(22)35)11-10-32-8-6-17(7-9-32)23-15-30-25-4-2-18(29)12-20(23)25/h2-5,12-13,15-17,22,30-31H,6-11,14H2,1H3.
What are the key properties of 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 488.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155528236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).