(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one

C16H20FN3O — CID 177013636

IUPAC(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one
SMILESCCC/N=C1\NC(=O)CC(c2ccc(F)cc2)\C1=C(/C)N
InChIInChI=1S/C16H20FN3O/c1-3-8-19-16-15(10(2)18)13(9-14(21)20-16)11-4-6-12(17)7-5-11/h4-7,13H,3,8-9,18H2,1-2H3,(H,19,20,21)/b15-10-
InChIKeyFZPGTRDLHCFNDD-GDNBJRDFSA-N
MW289.35 g/mol
LogP2.47
Rot. Bonds3

About (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one

(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one (PubChem CID 177013636) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one
PubChem CID177013636
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one
SMILESCCC/N=C1\NC(=O)CC(c2ccc(F)cc2)\C1=C(/C)N
InChIInChI=1S/C16H20FN3O/c1-3-8-19-16-15(10(2)18)13(9-14(21)20-16)11-4-6-12(17)7-5-11/h4-7,13H,3,8-9,18H2,1-2H3,(H,19,20,21)/b15-10-
InChIKeyFZPGTRDLHCFNDD-GDNBJRDFSA-N
XLogP2.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one?
The IUPAC name of (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one (CID 177013636) is (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one.
What is the SMILES notation for (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one?
The canonical SMILES for (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one is CCC/N=C1\NC(=O)CC(c2ccc(F)cc2)\C1=C(/C)N.
What is the InChIKey of (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one?
The InChIKey is FZPGTRDLHCFNDD-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-3-8-19-16-15(10(2)18)13(9-14(21)20-16)11-4-6-12(17)7-5-11/h4-7,13H,3,8-9,18H2,1-2H3,(H,19,20,21)/b15-10-.
What are the key properties of (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one?
(5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one has a molecular weight of 289.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-aminoethylidene)-4-(4-fluorophenyl)-6-propyliminopiperidin-2-one is sourced from PubChem (CID 177013636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).