1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone

C16H16FN3O3S — CID 122267223

IUPAC1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H16FN3O3S/c1-10(21)13-4-5-14(24-13)15(22)20-6-2-3-12(9-20)23-16-18-7-11(17)8-19-16/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyBNLDSGLIKBDBJP-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.56
Rot. Bonds4

About 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 122267223) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID122267223
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H16FN3O3S/c1-10(21)13-4-5-14(24-13)15(22)20-6-2-3-12(9-20)23-16-18-7-11(17)8-19-16/h4-5,7-8,12H,2-3,6,9H2,1H3
InChIKeyBNLDSGLIKBDBJP-UHFFFAOYSA-N
XLogP2.56
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
(3-fluoro-4-methoxyphenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122160980
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 122258470
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 122267223) is 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCCC(Oc3ncc(F)cn3)C2)s1.
What is the InChIKey of 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is BNLDSGLIKBDBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-10(21)13-4-5-14(24-13)15(22)20-6-2-3-12(9-20)23-16-18-7-11(17)8-19-16/h4-5,7-8,12H,2-3,6,9H2,1H3.
What are the key properties of 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 349.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 122267223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).