1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone

C17H18FN3O2 — CID 139023328

IUPAC1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-11-19-17(20-12-14)23-15-6-8-21(9-7-15)16(22)10-13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2
InChIKeyOZJZADQJWAIKQL-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone

1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone (PubChem CID 139023328) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
PubChem CID139023328
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H18FN3O2/c18-14-11-19-17(20-12-14)23-15-6-8-21(9-7-15)16(22)10-13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2
InChIKeyOZJZADQJWAIKQL-UHFFFAOYSA-N
XLogP2.23
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2-benzylsulfanyl-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355253
benzyl 3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxylate
CID 121017645
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-cyclohexyl-1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 139022938
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267235
2-(1,2-benzoxazol-3-yl)-1-[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 121017622
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
2-(benzimidazol-1-yl)-1-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129355815
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 91626381

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone (CID 139023328) is 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
The InChIKey is OZJZADQJWAIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-14-11-19-17(20-12-14)23-15-6-8-21(9-7-15)16(22)10-13-4-2-1-3-5-13/h1-5,11-12,15H,6-10H2.
What are the key properties of 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone?
1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone has a molecular weight of 315.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 139023328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).