2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C20H24N2O4 — CID 17217105

IUPAC2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-7-17(15(2)13-14)26-16(3)19(23)21-8-10-22(11-9-21)20(24)18-5-4-12-25-18/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyBKGCSNQHCNDVDT-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.65
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 17217105) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID17217105
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1
InChIInChI=1S/C20H24N2O4/c1-14-6-7-17(15(2)13-14)26-16(3)19(23)21-8-10-22(11-9-21)20(24)18-5-4-12-25-18/h4-7,12-13,16H,8-11H2,1-3H3
InChIKeyBKGCSNQHCNDVDT-UHFFFAOYSA-N
XLogP2.65
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 17217105) is 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is Cc1ccc(OC(C)C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is BKGCSNQHCNDVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-6-7-17(15(2)13-14)26-16(3)19(23)21-8-10-22(11-9-21)20(24)18-5-4-12-25-18/h4-7,12-13,16H,8-11H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.42 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 17217105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).