(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

C19H24N2O3 — CID 1245905

IUPAC(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C19H24N2O3/c1-4-23-18-8-6-5-7-17(18)20-9-11-21(12-10-20)19(22)16-13-14(2)24-15(16)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLQDZFRTXCLVQHH-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.26
Rot. Bonds4

About (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (PubChem CID 1245905) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
PubChem CID1245905
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1
InChIInChI=1S/C19H24N2O3/c1-4-23-18-8-6-5-7-17(18)20-9-11-21(12-10-20)19(22)16-13-14(2)24-15(16)3/h5-8,13H,4,9-12H2,1-3H3
InChIKeyLQDZFRTXCLVQHH-UHFFFAOYSA-N
XLogP3.26
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone (CID 1245905) is (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is CCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LQDZFRTXCLVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-23-18-8-6-5-7-17(18)20-9-11-21(12-10-20)19(22)16-13-14(2)24-15(16)3/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 328.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1245905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).