4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

C13H14FN5O3 — CID 122258470

IUPAC4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O3/c14-8-4-16-13(17-5-8)22-9-2-1-3-19(7-9)11(20)10-6-15-12(21)18-10/h4-6,9H,1-3,7H2,(H2,15,18,21)
InChIKeyGXRXNIKPKVWJIH-UHFFFAOYSA-N
MW307.29 g/mol
LogP0.32
Rot. Bonds3

About 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one

4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (PubChem CID 122258470) has the molecular formula C13H14FN5O3 and a molecular weight of 307.29 g/mol. Its IUPAC name is 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
PubChem CID122258470
Molecular FormulaC13H14FN5O3
Molecular Weight307.29 g/mol
Exact Mass307.11
IUPAC Name4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
SMILESO=C(c1c[nH]c(=O)[nH]1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H14FN5O3/c14-8-4-16-13(17-5-8)22-9-2-1-3-19(7-9)11(20)10-6-15-12(21)18-10/h4-6,9H,1-3,7H2,(H2,15,18,21)
InChIKeyGXRXNIKPKVWJIH-UHFFFAOYSA-N
XLogP0.32
TPSA103.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122160225
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257413
1-[5-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 122267223
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 122258258
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122258230

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one (CID 122258470) is 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is O=C(c1c[nH]c(=O)[nH]1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
The InChIKey is GXRXNIKPKVWJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O3/c14-8-4-16-13(17-5-8)22-9-2-1-3-19(7-9)11(20)10-6-15-12(21)18-10/h4-6,9H,1-3,7H2,(H2,15,18,21).
What are the key properties of 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one?
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one has a molecular weight of 307.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 122258470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).