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

C28H30N4O3 — CID 155543949

IUPAC1-[2-[4-(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]c6ccccc56)CC4)C3=O)c2c1
InChIInChI=1S/C28H30N4O3/c1-35-19-6-7-26-21(14-19)24(17-30-26)22-15-27(33)32(28(22)34)13-12-31-10-8-18(9-11-31)23-16-29-25-5-3-2-4-20(23)25/h2-7,14,16-18,22,29-30H,8-13,15H2,1H3
InChIKeyBSTUCRCQYKCWRT-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.38
Rot. Bonds6

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

1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 155543949) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-[2-[4-(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-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID155543949
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name1-[2-[4-(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]c6ccccc56)CC4)C3=O)c2c1
InChIInChI=1S/C28H30N4O3/c1-35-19-6-7-26-21(14-19)24(17-30-26)22-15-27(33)32(28(22)34)13-12-31-10-8-18(9-11-31)23-16-29-25-5-3-2-4-20(23)25/h2-7,14,16-18,22,29-30H,8-13,15H2,1H3
InChIKeyBSTUCRCQYKCWRT-UHFFFAOYSA-N
XLogP4.38
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.38
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-(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-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 155543949) is 1-[2-[4-(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-(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-(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]c6ccccc56)CC4)C3=O)c2c1.
What is the InChIKey of 1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is BSTUCRCQYKCWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-35-19-6-7-26-21(14-19)24(17-30-26)22-15-27(33)32(28(22)34)13-12-31-10-8-18(9-11-31)23-16-29-25-5-3-2-4-20(23)25/h2-7,14,16-18,22,29-30H,8-13,15H2,1H3.
What are the key properties of 1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione?
1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 470.57 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 155543949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).