1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone

C11H14FN3O — CID 58327660

IUPAC1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ncncc2F)CC1
InChIInChI=1S/C11H14FN3O/c1-8(16)15-4-2-9(3-5-15)11-10(12)6-13-7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyJYJPRHFKZKMEAK-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.34
Rot. Bonds1

About 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone

1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 58327660) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID58327660
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ncncc2F)CC1
InChIInChI=1S/C11H14FN3O/c1-8(16)15-4-2-9(3-5-15)11-10(12)6-13-7-14-11/h6-7,9H,2-5H2,1H3
InChIKeyJYJPRHFKZKMEAK-UHFFFAOYSA-N
XLogP1.34
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone (CID 58327660) is 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ncncc2F)CC1.
What is the InChIKey of 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is JYJPRHFKZKMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O/c1-8(16)15-4-2-9(3-5-15)11-10(12)6-13-7-14-11/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone?
1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 223.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoropyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 58327660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).