(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one

C17H17FN2O4 — CID 29029624

IUPAC(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O4/c1-2-23-14-8-7-13(24-14)17(22)20-10-9-19-16(21)15(20)11-3-5-12(18)6-4-11/h3-8,15H,2,9-10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFZKTVOAUPSEWMI-OAHLLOKOSA-N
MW332.33 g/mol
LogP2.13
Rot. Bonds4

About (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one

(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one (PubChem CID 29029624) has the molecular formula C17H17FN2O4 and a molecular weight of 332.33 g/mol. Its IUPAC name is (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
PubChem CID29029624
Molecular FormulaC17H17FN2O4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one
SMILESCCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1
InChIInChI=1S/C17H17FN2O4/c1-2-23-14-8-7-13(24-14)17(22)20-10-9-19-16(21)15(20)11-3-5-12(18)6-4-11/h3-8,15H,2,9-10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFZKTVOAUPSEWMI-OAHLLOKOSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The IUPAC name of (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one (CID 29029624) is (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one is CCOc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(F)cc2)o1.
What is the InChIKey of (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
The InChIKey is FZKTVOAUPSEWMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17FN2O4/c1-2-23-14-8-7-13(24-14)17(22)20-10-9-19-16(21)15(20)11-3-5-12(18)6-4-11/h3-8,15H,2,9-10H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one?
(3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one has a molecular weight of 332.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-ethoxyfuran-2-carbonyl)-3-(4-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 29029624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).