3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole

C23H25N3O — CID 134100949

IUPAC3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
SMILESc1cc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)c2cc[nH]c2c1
InChIInChI=1S/C23H25N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-8,11,16-17,24-25H,9-10,12-15H2
InChIKeyZZCRPVAIMHRKDU-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.91
Rot. Bonds5

About 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole

3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole (PubChem CID 134100949) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
PubChem CID134100949
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
SMILESc1cc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)c2cc[nH]c2c1
InChIInChI=1S/C23H25N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-8,11,16-17,24-25H,9-10,12-15H2
InChIKeyZZCRPVAIMHRKDU-UHFFFAOYSA-N
XLogP4.91
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole (CID 134100949) is 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole is c1cc(OCCN2CCC(c3c[nH]c4ccccc34)CC2)c2cc[nH]c2c1.
What is the InChIKey of 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is ZZCRPVAIMHRKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-2-5-21-18(4-1)20(16-25-21)17-9-12-26(13-10-17)14-15-27-23-7-3-6-22-19(23)8-11-24-22/h1-8,11,16-17,24-25H,9-10,12-15H2.
What are the key properties of 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole?
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 359.47 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 134100949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).