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

C32H34N4 — CID 97034530

IUPAC3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole
SMILESc1ccc(N2CC[C@H](CN3CCC(c4c[nH]c5ccccc45)(c4c[nH]c5ccccc45)CC3)C2)cc1
InChIInChI=1S/C32H34N4/c1-2-8-25(9-3-1)36-17-14-24(23-36)22-35-18-15-32(16-19-35,28-20-33-30-12-6-4-10-26(28)30)29-21-34-31-13-7-5-11-27(29)31/h1-13,20-21,24,33-34H,14-19,22-23H2/t24-/m1/s1
InChIKeyDZQPBZQDFPYWLV-XMMPIXPASA-N
MW474.65 g/mol
LogP6.56
Rot. Bonds5

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

3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole (PubChem CID 97034530) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole
PubChem CID97034530
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole
SMILESc1ccc(N2CC[C@H](CN3CCC(c4c[nH]c5ccccc45)(c4c[nH]c5ccccc45)CC3)C2)cc1
InChIInChI=1S/C32H34N4/c1-2-8-25(9-3-1)36-17-14-24(23-36)22-35-18-15-32(16-19-35,28-20-33-30-12-6-4-10-26(28)30)29-21-34-31-13-7-5-11-27(29)31/h1-13,20-21,24,33-34H,14-19,22-23H2/t24-/m1/s1
InChIKeyDZQPBZQDFPYWLV-XMMPIXPASA-N
XLogP6.56
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1-[(1-phenylpyrrolidin-3-yl)methyl]piperidine
CID 171069499
N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 119110013
1-[(1-phenylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 127267019
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
(3R)-1-phenylpyrrolidin-3-amine
CID 51663648
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857
ethane;4-[(3-ethylazetidin-1-yl)methyl]-1-phenylpiperidine
CID 171069599
ethane;1-[(1-phenylpiperidin-4-yl)methyl]-4-(piperidin-4-ylmethyl)piperazine;propane
CID 171069899
(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 97034478
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole (CID 97034530) is 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole is c1ccc(N2CC[C@H](CN3CCC(c4c[nH]c5ccccc45)(c4c[nH]c5ccccc45)CC3)C2)cc1.
What is the InChIKey of 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole?
The InChIKey is DZQPBZQDFPYWLV-XMMPIXPASA-N. The full InChI is InChI=1S/C32H34N4/c1-2-8-25(9-3-1)36-17-14-24(23-36)22-35-18-15-32(16-19-35,28-20-33-30-12-6-4-10-26(28)30)29-21-34-31-13-7-5-11-27(29)31/h1-13,20-21,24,33-34H,14-19,22-23H2/t24-/m1/s1.
What are the key properties of 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole?
3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole has a molecular weight of 474.65 g/mol, XLogP of 6.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)-1-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 97034530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).