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

C23H21F2N3O — CID 53137694

IUPAC2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C23H21F2N3O/c24-19-7-1-4-16(12-19)13-22(29)28-11-3-6-18(15-28)21-9-10-26-23(27-21)17-5-2-8-20(25)14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2
InChIKeyGEVAICCXGYZVJX-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.37
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 53137694) has the molecular formula C23H21F2N3O and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID53137694
Molecular FormulaC23H21F2N3O
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1
InChIInChI=1S/C23H21F2N3O/c24-19-7-1-4-16(12-19)13-22(29)28-11-3-6-18(15-28)21-9-10-26-23(27-21)17-5-2-8-20(25)14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2
InChIKeyGEVAICCXGYZVJX-UHFFFAOYSA-N
XLogP4.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 53137694) is 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is O=C(Cc1cccc(F)c1)N1CCCC(c2ccnc(-c3cccc(F)c3)n2)C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is GEVAICCXGYZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O/c24-19-7-1-4-16(12-19)13-22(29)28-11-3-6-18(15-28)21-9-10-26-23(27-21)17-5-2-8-20(25)14-17/h1-2,4-5,7-10,12,14,18H,3,6,11,13,15H2.
What are the key properties of 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 393.44 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53137694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).