[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone

C31H34N4O2 — CID 171674305

IUPAC[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]cc(C3CCN(C(=O)C4CC5CCC4N5C(=O)c4cc5c(C)cccc5[nH]4)CC3)c2c1
InChIInChI=1S/C31H34N4O2/c1-18-6-8-26-23(14-18)25(17-32-26)20-10-12-34(13-11-20)30(36)24-15-21-7-9-29(24)35(21)31(37)28-16-22-19(2)4-3-5-27(22)33-28/h3-6,8,14,16-17,20-21,24,29,32-33H,7,9-13,15H2,1-2H3
InChIKeyZSGNHWKMDZHKGJ-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.67
Rot. Bonds3

About [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone

[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 171674305) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID171674305
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]cc(C3CCN(C(=O)C4CC5CCC4N5C(=O)c4cc5c(C)cccc5[nH]4)CC3)c2c1
InChIInChI=1S/C31H34N4O2/c1-18-6-8-26-23(14-18)25(17-32-26)20-10-12-34(13-11-20)30(36)24-15-21-7-9-29(24)35(21)31(37)28-16-22-19(2)4-3-5-27(22)33-28/h3-6,8,14,16-17,20-21,24,29,32-33H,7,9-13,15H2,1-2H3
InChIKeyZSGNHWKMDZHKGJ-UHFFFAOYSA-N
XLogP5.67
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone (CID 171674305) is [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is Cc1ccc2[nH]cc(C3CCN(C(=O)C4CC5CCC4N5C(=O)c4cc5c(C)cccc5[nH]4)CC3)c2c1.
What is the InChIKey of [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is ZSGNHWKMDZHKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-18-6-8-26-23(14-18)25(17-32-26)20-10-12-34(13-11-20)30(36)24-15-21-7-9-29(24)35(21)31(37)28-16-22-19(2)4-3-5-27(22)33-28/h3-6,8,14,16-17,20-21,24,29,32-33H,7,9-13,15H2,1-2H3.
What are the key properties of [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone?
[7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 494.64 g/mol, XLogP of 5.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methyl-1H-indole-2-carbonyl)-7-azabicyclo[2.2.1]heptan-2-yl]-[4-(5-methyl-1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 171674305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).