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

C16H22F2N4O4 — CID 163346102

IUPAC(4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone
SMILESCOc1cc(OC)nc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H22F2N4O4/c1-24-12-9-13(25-2)20-15(19-12)22-7-8-26-11(10-22)14(23)21-5-3-16(17,18)4-6-21/h9,11H,3-8,10H2,1-2H3
InChIKeyFGYMJCFLWLBNIL-UHFFFAOYSA-N
MW372.37 g/mol
LogP0.96
Rot. Bonds4

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

(4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone (PubChem CID 163346102) has the molecular formula C16H22F2N4O4 and a molecular weight of 372.37 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone
PubChem CID163346102
Molecular FormulaC16H22F2N4O4
Molecular Weight372.37 g/mol
Exact Mass372.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone
SMILESCOc1cc(OC)nc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C16H22F2N4O4/c1-24-12-9-13(25-2)20-15(19-12)22-7-8-26-11(10-22)14(23)21-5-3-16(17,18)4-6-21/h9,11H,3-8,10H2,1-2H3
InChIKeyFGYMJCFLWLBNIL-UHFFFAOYSA-N
XLogP0.96
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone (CID 163346102) is (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone is COc1cc(OC)nc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone?
The InChIKey is FGYMJCFLWLBNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O4/c1-24-12-9-13(25-2)20-15(19-12)22-7-8-26-11(10-22)14(23)21-5-3-16(17,18)4-6-21/h9,11H,3-8,10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone has a molecular weight of 372.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-(4,6-dimethoxypyrimidin-2-yl)morpholin-2-yl]methanone is sourced from PubChem (CID 163346102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).