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

C25H33N3O2 — CID 58730857

IUPAC2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4cc(OC)ccc4OC)c(C)c3c2)CC1
InChIInChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-23(21)27-25(17)22-16-20(29-3)6-8-24(22)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3
InChIKeyQPZXJZOLWQSLSS-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.56
Rot. Bonds7

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

2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (PubChem CID 58730857) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
PubChem CID58730857
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4cc(OC)ccc4OC)c(C)c3c2)CC1
InChIInChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-23(21)27-25(17)22-16-20(29-3)6-8-24(22)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3
InChIKeyQPZXJZOLWQSLSS-UHFFFAOYSA-N
XLogP4.56
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2,5-dimethoxyphenyl)-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

Related Compounds

2-[4-[2-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730788
2-[4-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine
CID 58730850
N-methyl-2-[4-[3-methyl-2-(2-propan-2-yloxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730842
N-methyl-2-[4-[3-methyl-2-(2-phenylmethoxyphenyl)-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 58730804
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134329284
2-(3,4-dimethoxyphenyl)-5-[1-[1-(5-methoxypentyl)piperidin-4-yl]piperidin-4-yl]-3-methyl-1H-indole
CID 142283581
N-[4-fluoro-2-[3-fluoro-5-[1-[2-(methylamino)ethyl]piperidin-4-yl]-1H-indol-2-yl]phenyl]methanesulfonamide
CID 58730856
2-[5-[2-(3-fluoro-4-methoxyphenyl)-3-methyl-1H-indol-5-yl]cyclohepten-1-yl]-N-methylethanamine
CID 143311705
2-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanamine
CID 134231010
5-[1-(1-cyclohexylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)-3-methyl-1H-indole
CID 134230502
3-[4-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]piperidin-1-yl]propane-1,2-diol
CID 134230543
1-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-2-(ethylamino)ethanone
CID 134230221

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine (CID 58730857) is 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4cc(OC)ccc4OC)c(C)c3c2)CC1.
What is the InChIKey of 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
The InChIKey is QPZXJZOLWQSLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-17-21-15-19(18-9-12-28(13-10-18)14-11-26-2)5-7-23(21)27-25(17)22-16-20(29-3)6-8-24(22)30-4/h5-8,15-16,18,26-27H,9-14H2,1-4H3.
What are the key properties of 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine?
2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine has a molecular weight of 407.56 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,5-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 58730857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).