1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone

C21H31N3O5 — CID 9120109

IUPAC1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCCOc1ccccc1OCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O5/c1-2-13-28-18-5-3-4-6-19(18)29-17-21(26)23-9-7-22(8-10-23)16-20(25)24-11-14-27-15-12-24/h3-6H,2,7-17H2,1H3
InChIKeyHTQLDUAWTOEQNS-UHFFFAOYSA-N
MW405.50 g/mol
LogP0.86
Rot. Bonds8

About 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone (PubChem CID 9120109) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone
PubChem CID9120109
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC Name1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone
SMILESCCCOc1ccccc1OCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C21H31N3O5/c1-2-13-28-18-5-3-4-6-19(18)29-17-21(26)23-9-7-22(8-10-23)16-20(25)24-11-14-27-15-12-24/h3-6H,2,7-17H2,1H3
InChIKeyHTQLDUAWTOEQNS-UHFFFAOYSA-N
XLogP0.86
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone (CID 9120109) is 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone is CCCOc1ccccc1OCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
The InChIKey is HTQLDUAWTOEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-2-13-28-18-5-3-4-6-19(18)29-17-21(26)23-9-7-22(8-10-23)16-20(25)24-11-14-27-15-12-24/h3-6H,2,7-17H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone has a molecular weight of 405.50 g/mol, XLogP of 0.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[2-(2-propoxyphenoxy)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 9120109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).