(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone

C15H20F2N4O3 — CID 163349262

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone
SMILESCOc1cc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C15H20F2N4O3/c1-23-13-8-12(18-10-19-13)21-6-7-24-11(9-21)14(22)20-4-2-15(16,17)3-5-20/h8,10-11H,2-7,9H2,1H3
InChIKeyXXOFSQGQFZEJFN-UHFFFAOYSA-N
MW342.35 g/mol
LogP0.95
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone (PubChem CID 163349262) has the molecular formula C15H20F2N4O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone
PubChem CID163349262
Molecular FormulaC15H20F2N4O3
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone
SMILESCOc1cc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)ncn1
InChIInChI=1S/C15H20F2N4O3/c1-23-13-8-12(18-10-19-13)21-6-7-24-11(9-21)14(22)20-4-2-15(16,17)3-5-20/h8,10-11H,2-7,9H2,1H3
InChIKeyXXOFSQGQFZEJFN-UHFFFAOYSA-N
XLogP0.95
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone (CID 163349262) is (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone is COc1cc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)ncn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone?
The InChIKey is XXOFSQGQFZEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O3/c1-23-13-8-12(18-10-19-13)21-6-7-24-11(9-21)14(22)20-4-2-15(16,17)3-5-20/h8,10-11H,2-7,9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone has a molecular weight of 342.35 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 163349262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).