1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

C18H20FN3O — CID 53137704

IUPAC1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H20FN3O/c1-2-17(23)22-10-4-6-14(12-22)16-8-9-20-18(21-16)13-5-3-7-15(19)11-13/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3
InChIKeyCBYVGQMWNQBWIA-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.40
Rot. Bonds3

About 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (PubChem CID 53137704) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
PubChem CID53137704
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C18H20FN3O/c1-2-17(23)22-10-4-6-14(12-22)16-8-9-20-18(21-16)13-5-3-7-15(19)11-13/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3
InChIKeyCBYVGQMWNQBWIA-UHFFFAOYSA-N
XLogP3.40
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one (CID 53137704) is 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
The InChIKey is CBYVGQMWNQBWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-2-17(23)22-10-4-6-14(12-22)16-8-9-20-18(21-16)13-5-3-7-15(19)11-13/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3.
What are the key properties of 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one?
1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one has a molecular weight of 313.38 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53137704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).