1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one

C19H20FN3O2 — CID 126814728

IUPAC1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-19(2)18(25)22(13-14-6-4-3-5-7-14)8-9-23(19)17(24)15-10-16(20)12-21-11-15/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyWTQDAHDKHJPXCN-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.48
Rot. Bonds3

About 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one

1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 126814728) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID126814728
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C19H20FN3O2/c1-19(2)18(25)22(13-14-6-4-3-5-7-14)8-9-23(19)17(24)15-10-16(20)12-21-11-15/h3-7,10-12H,8-9,13H2,1-2H3
InChIKeyWTQDAHDKHJPXCN-UHFFFAOYSA-N
XLogP2.48
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one (CID 126814728) is 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)c1cncc(F)c1.
What is the InChIKey of 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is WTQDAHDKHJPXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-19(2)18(25)22(13-14-6-4-3-5-7-14)8-9-23(19)17(24)15-10-16(20)12-21-11-15/h3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one?
1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 341.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 126814728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).