[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone

C23H27N3O3 — CID 71724986

IUPAC[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-4-3-5-21-20(17)16-22(24-21)23(27)26-12-10-25(11-13-26)14-15-29-19-8-6-18(28-2)7-9-19/h3-9,16,24H,10-15H2,1-2H3
InChIKeyAWWFUJHGYZGUBS-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.32
Rot. Bonds6

About [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (PubChem CID 71724986) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
PubChem CID71724986
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-17-4-3-5-21-20(17)16-22(24-21)23(27)26-12-10-25(11-13-26)14-15-29-19-8-6-18(28-2)7-9-19/h3-9,16,24H,10-15H2,1-2H3
InChIKeyAWWFUJHGYZGUBS-UHFFFAOYSA-N
XLogP3.32
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone 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 [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone (CID 71724986) is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone is COc1ccc(OCCN2CCN(C(=O)c3cc4c(C)cccc4[nH]3)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
The InChIKey is AWWFUJHGYZGUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-4-3-5-21-20(17)16-22(24-21)23(27)26-12-10-25(11-13-26)14-15-29-19-8-6-18(28-2)7-9-19/h3-9,16,24H,10-15H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone?
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone has a molecular weight of 393.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(4-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 71724986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).