1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione

C15H17F2N3O2 — CID 170737571

IUPAC1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CCNCC3(F)F)cc2)C(=O)N1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)9-18-7-5-12(15)10-1-3-11(4-2-10)20-8-6-13(21)19-14(20)22/h1-4,12,18H,5-9H2,(H,19,21,22)
InChIKeyZGPFXHNJRLJZDV-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.85
Rot. Bonds2

About 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione

1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 170737571) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID170737571
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(C3CCNCC3(F)F)cc2)C(=O)N1
InChIInChI=1S/C15H17F2N3O2/c16-15(17)9-18-7-5-12(15)10-1-3-11(4-2-10)20-8-6-13(21)19-14(20)22/h1-4,12,18H,5-9H2,(H,19,21,22)
InChIKeyZGPFXHNJRLJZDV-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione (CID 170737571) is 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(C3CCNCC3(F)F)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is ZGPFXHNJRLJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c16-15(17)9-18-7-5-12(15)10-1-3-11(4-2-10)20-8-6-13(21)19-14(20)22/h1-4,12,18H,5-9H2,(H,19,21,22).
What are the key properties of 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 309.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-difluoropiperidin-4-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 170737571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).