3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide

C16H20FN3O2 — CID 124752783

IUPAC3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN1CCNC(=O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c1-2-8-18-14(21)7-10-20-11-9-19-16(22)15(20)12-3-5-13(17)6-4-12/h2-6,15H,1,7-11H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyKKHBREAGQXQTTJ-OAHLLOKOSA-N
MW305.35 g/mol
LogP0.99
Rot. Bonds6

About 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide

3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 124752783) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide
PubChem CID124752783
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN1CCNC(=O)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O2/c1-2-8-18-14(21)7-10-20-11-9-19-16(22)15(20)12-3-5-13(17)6-4-12/h2-6,15H,1,7-11H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyKKHBREAGQXQTTJ-OAHLLOKOSA-N
XLogP0.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide?
The IUPAC name of 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide (CID 124752783) is 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)CCN1CCNC(=O)[C@H]1c1ccc(F)cc1.
What is the InChIKey of 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is KKHBREAGQXQTTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-8-18-14(21)7-10-20-11-9-19-16(22)15(20)12-3-5-13(17)6-4-12/h2-6,15H,1,7-11H2,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide?
3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 305.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-fluorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylpropanamide is sourced from PubChem (CID 124752783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).