3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole

C22H25N3 — CID 59108468

IUPAC3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(c1)CCN2CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3/c1-4-8-22-18(5-1)11-14-25(22)16-24-12-9-17(10-13-24)20-15-23-21-7-3-2-6-19(20)21/h1-8,15,17,23H,9-14,16H2
InChIKeyOQFGZEBJECZGCW-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.37
Rot. Bonds3

About 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole

3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole (PubChem CID 59108468) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
PubChem CID59108468
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(c1)CCN2CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H25N3/c1-4-8-22-18(5-1)11-14-25(22)16-24-12-9-17(10-13-24)20-15-23-21-7-3-2-6-19(20)21/h1-8,15,17,23H,9-14,16H2
InChIKeyOQFGZEBJECZGCW-UHFFFAOYSA-N
XLogP4.37
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole (CID 59108468) is 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole is c1ccc2c(c1)CCN2CN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole?
The InChIKey is OQFGZEBJECZGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-4-8-22-18(5-1)11-14-25(22)16-24-12-9-17(10-13-24)20-15-23-21-7-3-2-6-19(20)21/h1-8,15,17,23H,9-14,16H2.
What are the key properties of 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole?
3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole has a molecular weight of 331.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 59108468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).