[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

C21H26N2O4 — CID 31281277

IUPAC[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-17-7-9-18(10-8-17)27-16-15-22-11-13-23(14-12-22)21(24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3
InChIKeyJOOAJIXGNAIFDC-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.54
Rot. Bonds7

About [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 31281277) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID31281277
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H26N2O4/c1-25-17-7-9-18(10-8-17)27-16-15-22-11-13-23(14-12-22)21(24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3
InChIKeyJOOAJIXGNAIFDC-UHFFFAOYSA-N
XLogP2.54
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 31281277) is [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccc(OCCN2CCN(C(=O)c3ccccc3OC)CC2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is JOOAJIXGNAIFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-17-7-9-18(10-8-17)27-16-15-22-11-13-23(14-12-22)21(24)19-5-3-4-6-20(19)26-2/h3-10H,11-16H2,1-2H3.
What are the key properties of [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 370.45 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 31281277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).