1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone

C13H16FN3O3 — CID 115646355

IUPAC1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H16FN3O3/c1-20-9-12(18)16-4-6-17(7-5-16)13(19)10-2-3-15-8-11(10)14/h2-3,8H,4-7,9H2,1H3
InChIKeyLVSNVJHKXBQVCF-UHFFFAOYSA-N
MW281.29 g/mol
LogP0.15
Rot. Bonds3

About 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone

1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 115646355) has the molecular formula C13H16FN3O3 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
PubChem CID115646355
Molecular FormulaC13H16FN3O3
Molecular Weight281.29 g/mol
Exact Mass281.12
IUPAC Name1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(C(=O)c2ccncc2F)CC1
InChIInChI=1S/C13H16FN3O3/c1-20-9-12(18)16-4-6-17(7-5-16)13(19)10-2-3-15-8-11(10)14/h2-3,8H,4-7,9H2,1H3
InChIKeyLVSNVJHKXBQVCF-UHFFFAOYSA-N
XLogP0.15
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105066571
(4-cyclopropylidenepiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 121184189
(3-fluoro-4-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 64950699
(3-fluoro-4-pyridinyl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 115646331
[4-(ethylamino)piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950641
2-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]ethanethioamide
CID 64948717
(4-ethyl-3-methylpiperazin-1-yl)-(3-fluoro-4-pyridinyl)methanone
CID 115764496
(3-fluoro-4-pyridinyl)-[(2R)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 164642836
(3-fluoro-4-pyridinyl)-(4-hydroxyiminopiperidin-1-yl)methanone
CID 64950480
1-[4-(3-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 106547862
[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 122142183
1-(3-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 115646226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone (CID 115646355) is 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(C(=O)c2ccncc2F)CC1.
What is the InChIKey of 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is LVSNVJHKXBQVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3/c1-20-9-12(18)16-4-6-17(7-5-16)13(19)10-2-3-15-8-11(10)14/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 281.29 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropyridine-4-carbonyl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 115646355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).