1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole

C24H31N3O — CID 170864366

IUPAC1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCc1cccc(Oc2c(CCCN3CCN(C)CC3)c3ccccc3n2C)c1
InChIInChI=1S/C24H31N3O/c1-19-8-6-9-20(18-19)28-24-22(21-10-4-5-12-23(21)26(24)3)11-7-13-27-16-14-25(2)15-17-27/h4-6,8-10,12,18H,7,11,13-17H2,1-3H3
InChIKeyLHPSSIUOWIHCRI-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.46
Rot. Bonds6

About 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole

1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole (PubChem CID 170864366) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole.

Molecular Properties

Compound Name1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
PubChem CID170864366
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole
SMILESCc1cccc(Oc2c(CCCN3CCN(C)CC3)c3ccccc3n2C)c1
InChIInChI=1S/C24H31N3O/c1-19-8-6-9-20(18-19)28-24-22(21-10-4-5-12-23(21)26(24)3)11-7-13-27-16-14-25(2)15-17-27/h4-6,8-10,12,18H,7,11,13-17H2,1-3H3
InChIKeyLHPSSIUOWIHCRI-UHFFFAOYSA-N
XLogP4.46
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole 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

4-[3-[1-methyl-2-(4-methylphenoxy)indol-3-yl]propyl]morpholine
CID 170870910
2-(4-chlorophenoxy)-1-methyl-3-(3-piperazin-1-ylpropyl)indole
CID 170868356
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
4-[3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propyl]morpholine
CID 170870926
1-[(3-methylphenyl)methyl]-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864392
2-[1-methyl-2-[3-(trifluoromethyl)phenoxy]indol-3-yl]ethanamine
CID 170887839
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962
1-[3-[2-(difluoromethoxy)naphthalen-1-yl]propyl]-4-methylpiperazine
CID 170863557
N-[(1,2-dimethylindol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 110782432
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
2-(3-methylphenoxy)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 1360908

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The IUPAC name of 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole (CID 170864366) is 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole.
What is the SMILES notation for 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The canonical SMILES for 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole is Cc1cccc(Oc2c(CCCN3CCN(C)CC3)c3ccccc3n2C)c1.
What is the InChIKey of 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
The InChIKey is LHPSSIUOWIHCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-19-8-6-9-20(18-19)28-24-22(21-10-4-5-12-23(21)26(24)3)11-7-13-27-16-14-25(2)15-17-27/h4-6,8-10,12,18H,7,11,13-17H2,1-3H3.
What are the key properties of 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole?
1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole has a molecular weight of 377.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylphenoxy)-3-[3-(4-methylpiperazin-1-yl)propyl]indole is sourced from PubChem (CID 170864366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).