(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone

C22H19F2N3O — CID 53137573

IUPAC(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H19F2N3O/c23-17-9-4-10-18(24)20(17)22(28)27-13-5-8-16(14-27)19-11-12-25-21(26-19)15-6-2-1-3-7-15/h1-4,6-7,9-12,16H,5,8,13-14H2
InChIKeyPXOUXXXFLFONDX-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.44
Rot. Bonds3

About (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone

(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 53137573) has the molecular formula C22H19F2N3O and a molecular weight of 379.41 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID53137573
Molecular FormulaC22H19F2N3O
Molecular Weight379.41 g/mol
Exact Mass379.15
IUPAC Name(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C22H19F2N3O/c23-17-9-4-10-18(24)20(17)22(28)27-13-5-8-16(14-27)19-11-12-25-21(26-19)15-6-2-1-3-7-15/h1-4,6-7,9-12,16H,5,8,13-14H2
InChIKeyPXOUXXXFLFONDX-UHFFFAOYSA-N
XLogP4.44
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 53137573) is (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCCC(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is PXOUXXXFLFONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O/c23-17-9-4-10-18(24)20(17)22(28)27-13-5-8-16(14-27)19-11-12-25-21(26-19)15-6-2-1-3-7-15/h1-4,6-7,9-12,16H,5,8,13-14H2.
What are the key properties of (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
(2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 379.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53137573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).