3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole

C34H38N4 — CID 122190650

IUPAC3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(Cc4ccc(CN5CCC(c6c[nH]c7ccccc67)CC5)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C34H38N4/c1-3-7-33-29(5-1)31(21-35-33)27-13-17-37(18-14-27)23-25-9-11-26(12-10-25)24-38-19-15-28(16-20-38)32-22-36-34-8-4-2-6-30(32)34/h1-12,21-22,27-28,35-36H,13-20,23-24H2
InChIKeyQSOKXKRTEDYLFA-UHFFFAOYSA-N
MW502.71 g/mol
LogP7.41
Rot. Bonds6

About 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole

3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole (PubChem CID 122190650) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole
PubChem CID122190650
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(Cc4ccc(CN5CCC(c6c[nH]c7ccccc67)CC5)cc4)CC3)c[nH]c2c1
InChIInChI=1S/C34H38N4/c1-3-7-33-29(5-1)31(21-35-33)27-13-17-37(18-14-27)23-25-9-11-26(12-10-25)24-38-19-15-28(16-20-38)32-22-36-34-8-4-2-6-30(32)34/h1-12,21-22,27-28,35-36H,13-20,23-24H2
InChIKeyQSOKXKRTEDYLFA-UHFFFAOYSA-N
XLogP7.41
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole with MolForge

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Related Compounds

3,3'-Diindolylmethane
CID 3071
Indalpine
CID 44668
Serdemetan
CID 11609586
Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
CY 208-243
CID 58144
N,N-Dipropyltryptamine
CID 6091
N-Skatylpiperidine
CID 21454
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole (CID 122190650) is 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole is c1ccc2c(C3CCN(Cc4ccc(CN5CCC(c6c[nH]c7ccccc67)CC5)cc4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole?
The InChIKey is QSOKXKRTEDYLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-3-7-33-29(5-1)31(21-35-33)27-13-17-37(18-14-27)23-25-9-11-26(12-10-25)24-38-19-15-28(16-20-38)32-22-36-34-8-4-2-6-30(32)34/h1-12,21-22,27-28,35-36H,13-20,23-24H2.
What are the key properties of 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole?
3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole has a molecular weight of 502.71 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]phenyl]methyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 122190650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).