3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

C24H27N3O — CID 11749126

IUPAC3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESNC(=O)c1cccc(C23CCCC(C2)N(Cc2c[nH]c4ccccc24)CC3)c1
InChIInChI=1S/C24H27N3O/c25-23(28)17-5-3-6-19(13-17)24-10-4-7-20(14-24)27(12-11-24)16-18-15-26-22-9-2-1-8-21(18)22/h1-3,5-6,8-9,13,15,20,26H,4,7,10-12,14,16H2,(H2,25,28)
InChIKeyPUOOQBLMNRELHE-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.35
Rot. Bonds4

About 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide

3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (PubChem CID 11749126) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
PubChem CID11749126
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide
SMILESNC(=O)c1cccc(C23CCCC(C2)N(Cc2c[nH]c4ccccc24)CC3)c1
InChIInChI=1S/C24H27N3O/c25-23(28)17-5-3-6-19(13-17)24-10-4-7-20(14-24)27(12-11-24)16-18-15-26-22-9-2-1-8-21(18)22/h1-3,5-6,8-9,13,15,20,26H,4,7,10-12,14,16H2,(H2,25,28)
InChIKeyPUOOQBLMNRELHE-UHFFFAOYSA-N
XLogP4.35
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The IUPAC name of 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide (CID 11749126) is 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide.
What is the SMILES notation for 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The canonical SMILES for 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is NC(=O)c1cccc(C23CCCC(C2)N(Cc2c[nH]c4ccccc24)CC3)c1.
What is the InChIKey of 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
The InChIKey is PUOOQBLMNRELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c25-23(28)17-5-3-6-19(13-17)24-10-4-7-20(14-24)27(12-11-24)16-18-15-26-22-9-2-1-8-21(18)22/h1-3,5-6,8-9,13,15,20,26H,4,7,10-12,14,16H2,(H2,25,28).
What are the key properties of 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide?
3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide has a molecular weight of 373.50 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-ylmethyl)-2-azabicyclo[3.3.1]nonan-5-yl]benzamide is sourced from PubChem (CID 11749126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).