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

C29H30N4O3 — CID 15106759

IUPAC3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN1CCCCC1
InChIInChI=1S/C29H30N4O3/c1-36-19-10-11-25-21(16-19)23(18-33(25)15-7-14-32-12-5-2-6-13-32)27-26(28(34)31-29(27)35)22-17-30-24-9-4-3-8-20(22)24/h3-4,8-11,16-18,30H,2,5-7,12-15H2,1H3,(H,31,34,35)
InChIKeyLXWBTZHPHRSKTP-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.57
Rot. Bonds7

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

3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 15106759) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID15106759
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN1CCCCC1
InChIInChI=1S/C29H30N4O3/c1-36-19-10-11-25-21(16-19)23(18-33(25)15-7-14-32-12-5-2-6-13-32)27-26(28(34)31-29(27)35)22-17-30-24-9-4-3-8-20(22)24/h3-4,8-11,16-18,30H,2,5-7,12-15H2,1H3,(H,31,34,35)
InChIKeyLXWBTZHPHRSKTP-UHFFFAOYSA-N
XLogP4.57
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione (CID 15106759) is 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is COc1ccc2c(c1)c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCCN1CCCCC1.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is LXWBTZHPHRSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-36-19-10-11-25-21(16-19)23(18-33(25)15-7-14-32-12-5-2-6-13-32)27-26(28(34)31-29(27)35)22-17-30-24-9-4-3-8-20(22)24/h3-4,8-11,16-18,30H,2,5-7,12-15H2,1H3,(H,31,34,35).
What are the key properties of 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 482.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 15106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).