(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone

C18H19F2N3O — CID 56863771

IUPAC(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCCc1cnc(N2CCCC(C(=O)c3cc(F)ccc3F)C2)nc1
InChIInChI=1S/C18H19F2N3O/c1-2-12-9-21-18(22-10-12)23-7-3-4-13(11-23)17(24)15-8-14(19)5-6-16(15)20/h5-6,8-10,13H,2-4,7,11H2,1H3
InChIKeyKRSNJYXRAFYMBR-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.42
Rot. Bonds4

About (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone

(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone (PubChem CID 56863771) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone
PubChem CID56863771
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone
SMILESCCc1cnc(N2CCCC(C(=O)c3cc(F)ccc3F)C2)nc1
InChIInChI=1S/C18H19F2N3O/c1-2-12-9-21-18(22-10-12)23-7-3-4-13(11-23)17(24)15-8-14(19)5-6-16(15)20/h5-6,8-10,13H,2-4,7,11H2,1H3
InChIKeyKRSNJYXRAFYMBR-UHFFFAOYSA-N
XLogP3.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone (CID 56863771) is (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone is CCc1cnc(N2CCCC(C(=O)c3cc(F)ccc3F)C2)nc1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone?
The InChIKey is KRSNJYXRAFYMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-2-12-9-21-18(22-10-12)23-7-3-4-13(11-23)17(24)15-8-14(19)5-6-16(15)20/h5-6,8-10,13H,2-4,7,11H2,1H3.
What are the key properties of (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone?
(2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone has a molecular weight of 331.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(5-ethylpyrimidin-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 56863771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).