1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole

C29H36N4 — CID 8666

IUPAC1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
SMILESc1ccc2c(c1)c(Cc1cn(CN3CCCCC3)c3ccccc13)cn2CN1CCCCC1
InChIInChI=1S/C29H36N4/c1-7-15-30(16-8-1)22-32-20-24(26-11-3-5-13-28(26)32)19-25-21-33(23-31-17-9-2-10-18-31)29-14-6-4-12-27(25)29/h3-6,11-14,20-21H,1-2,7-10,15-19,22-23H2
InChIKeyQDDZNCHAEUZCPL-UHFFFAOYSA-N
MW440.64 g/mol
LogP6.07
Rot. Bonds6

About 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole

1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole (PubChem CID 8666) has the molecular formula C29H36N4 and a molecular weight of 440.64 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
PubChem CID8666
Molecular FormulaC29H36N4
Molecular Weight440.64 g/mol
Exact Mass440.29
IUPAC Name1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole
SMILESc1ccc2c(c1)c(Cc1cn(CN3CCCCC3)c3ccccc13)cn2CN1CCCCC1
InChIInChI=1S/C29H36N4/c1-7-15-30(16-8-1)22-32-20-24(26-11-3-5-13-28(26)32)19-25-21-33(23-31-17-9-2-10-18-31)29-14-6-4-12-27(25)29/h3-6,11-14,20-21H,1-2,7-10,15-19,22-23H2
InChIKeyQDDZNCHAEUZCPL-UHFFFAOYSA-N
XLogP6.07
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole?
The IUPAC name of 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole (CID 8666) is 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole?
The canonical SMILES for 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole is c1ccc2c(c1)c(Cc1cn(CN3CCCCC3)c3ccccc13)cn2CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole?
The InChIKey is QDDZNCHAEUZCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4/c1-7-15-30(16-8-1)22-32-20-24(26-11-3-5-13-28(26)32)19-25-21-33(23-31-17-9-2-10-18-31)29-14-6-4-12-27(25)29/h3-6,11-14,20-21H,1-2,7-10,15-19,22-23H2.
What are the key properties of 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole?
1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole has a molecular weight of 440.64 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)-3-[[1-(piperidin-1-ylmethyl)indol-3-yl]methyl]indole is sourced from PubChem (CID 8666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).