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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Related Compounds

9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
1-benzyl-4-[(5R,7S)-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 146111275
(2,2-dimethylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 115737561
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 119105563
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
(2S)-N-benzyl-2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 100657682
[(1R,2R,4S)-2-benzyl-2-(hydroxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-(5-fluoro-3-pyridinyl)methanone
CID 146040887
1-(5-fluoro-3-pyridinyl)-3-phenylpropane-1,3-dione
CID 114080622
1-(5-fluoropyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 113452823
N-[(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-fluoropyridine-3-carboxamide
CID 98887099
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329

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).