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

C23H27N3O4 — CID 38417721

IUPAC(6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-28-18-5-7-19(8-6-18)30-14-13-25-9-11-26(12-10-25)23(27)22-15-17-3-4-20(29-2)16-21(17)24-22/h3-8,15-16,24H,9-14H2,1-2H3
InChIKeyAOEZTGSRIVCHEA-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.02
Rot. Bonds7

About (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

(6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 38417721) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID38417721
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name(6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1
InChIInChI=1S/C23H27N3O4/c1-28-18-5-7-19(8-6-18)30-14-13-25-9-11-26(12-10-25)23(27)22-15-17-3-4-20(29-2)16-21(17)24-22/h3-8,15-16,24H,9-14H2,1-2H3
InChIKeyAOEZTGSRIVCHEA-UHFFFAOYSA-N
XLogP3.02
TPSA67.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 38417721) is (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1ccc(OCCN2CCN(C(=O)c3cc4ccc(OC)cc4[nH]3)CC2)cc1.
What is the InChIKey of (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is AOEZTGSRIVCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-28-18-5-7-19(8-6-18)30-14-13-25-9-11-26(12-10-25)23(27)22-15-17-3-4-20(29-2)16-21(17)24-22/h3-8,15-16,24H,9-14H2,1-2H3.
What are the key properties of (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
(6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 38417721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).