2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one

C19H24F2N2O4 — CID 166249268

IUPAC2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one
SMILESCC1(F)CCN(C(=O)c2cc(=O)cc(C(=O)N3CCC(C)(F)CC3)o2)CC1
InChIInChI=1S/C19H24F2N2O4/c1-18(20)3-7-22(8-4-18)16(25)14-11-13(24)12-15(27-14)17(26)23-9-5-19(2,21)6-10-23/h11-12H,3-10H2,1-2H3
InChIKeyUVASFZFUIMZJLI-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.57
Rot. Bonds2

About 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one

2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one (PubChem CID 166249268) has the molecular formula C19H24F2N2O4 and a molecular weight of 382.41 g/mol. Its IUPAC name is 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one
PubChem CID166249268
Molecular FormulaC19H24F2N2O4
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Name2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one
SMILESCC1(F)CCN(C(=O)c2cc(=O)cc(C(=O)N3CCC(C)(F)CC3)o2)CC1
InChIInChI=1S/C19H24F2N2O4/c1-18(20)3-7-22(8-4-18)16(25)14-11-13(24)12-15(27-14)17(26)23-9-5-19(2,21)6-10-23/h11-12H,3-10H2,1-2H3
InChIKeyUVASFZFUIMZJLI-UHFFFAOYSA-N
XLogP2.57
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one?
The IUPAC name of 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one (CID 166249268) is 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one?
The canonical SMILES for 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one is CC1(F)CCN(C(=O)c2cc(=O)cc(C(=O)N3CCC(C)(F)CC3)o2)CC1.
What is the InChIKey of 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one?
The InChIKey is UVASFZFUIMZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O4/c1-18(20)3-7-22(8-4-18)16(25)14-11-13(24)12-15(27-14)17(26)23-9-5-19(2,21)6-10-23/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one?
2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one has a molecular weight of 382.41 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-fluoro-4-methylpiperidine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 166249268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).