N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

C22H27N3O2 — CID 53493915

IUPACN-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCOc1ccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3c2)cc1OC
InChIInChI=1S/C22H27N3O2/c1-25-10-8-15(9-11-25)19-14-23-20-12-16(4-6-18(19)20)24-17-5-7-21(26-2)22(13-17)27-3/h4-7,12-15,23-24H,8-11H2,1-3H3
InChIKeyDLYMATGBZQHMFW-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.74
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine

N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (PubChem CID 53493915) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
PubChem CID53493915
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
SMILESCOc1ccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3c2)cc1OC
InChIInChI=1S/C22H27N3O2/c1-25-10-8-15(9-11-25)19-14-23-20-12-16(4-6-18(19)20)24-17-5-7-21(26-2)22(13-17)27-3/h4-7,12-15,23-24H,8-11H2,1-3H3
InChIKeyDLYMATGBZQHMFW-UHFFFAOYSA-N
XLogP4.74
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine 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 N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine (CID 53493915) is N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is COc1ccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
The InChIKey is DLYMATGBZQHMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25-10-8-15(9-11-25)19-14-23-20-12-16(4-6-18(19)20)24-17-5-7-21(26-2)22(13-17)27-3/h4-7,12-15,23-24H,8-11H2,1-3H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine?
N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine has a molecular weight of 365.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine is sourced from PubChem (CID 53493915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).