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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Related Compounds

3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 129394382
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337

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).