2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

C24H29N3O2 — CID 142594699

IUPAC2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccc5c(c4)OCO5)c(C)c3c2)CC1
InChIInChI=1S/C24H29N3O2/c1-16-20-13-18(17-7-10-27(11-8-17)12-9-25-2)3-5-21(20)26-24(16)19-4-6-22-23(14-19)29-15-28-22/h3-6,13-14,17,25-26H,7-12,15H2,1-2H3
InChIKeyKHPAKZBEZQECBS-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.27
Rot. Bonds5

About 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine

2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 142594699) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID142594699
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccc5c(c4)OCO5)c(C)c3c2)CC1
InChIInChI=1S/C24H29N3O2/c1-16-20-13-18(17-7-10-27(11-8-17)12-9-25-2)3-5-21(20)26-24(16)19-4-6-22-23(14-19)29-15-28-22/h3-6,13-14,17,25-26H,7-12,15H2,1-2H3
InChIKeyKHPAKZBEZQECBS-UHFFFAOYSA-N
XLogP4.27
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 142594699) is 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccc5c(c4)OCO5)c(C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is KHPAKZBEZQECBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16-20-13-18(17-7-10-27(11-8-17)12-9-25-2)3-5-21(20)26-24(16)19-4-6-22-23(14-19)29-15-28-22/h3-6,13-14,17,25-26H,7-12,15H2,1-2H3.
What are the key properties of 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 391.52 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,3-benzodioxol-5-yl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 142594699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).