2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C19H22N2O4 — CID 753174

IUPAC2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-14-5-6-15(2)17(12-14)25-13-18(22)20-7-9-21(10-8-20)19(23)16-4-3-11-24-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyPWRAPCYTOJNEIG-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.26
Rot. Bonds4

About 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 753174) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID753174
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-14-5-6-15(2)17(12-14)25-13-18(22)20-7-9-21(10-8-20)19(23)16-4-3-11-24-16/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyPWRAPCYTOJNEIG-UHFFFAOYSA-N
XLogP2.26
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 753174) is 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is Cc1ccc(C)c(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PWRAPCYTOJNEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-5-6-15(2)17(12-14)25-13-18(22)20-7-9-21(10-8-20)19(23)16-4-3-11-24-16/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 342.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 753174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).