4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one

C15H19F3N2O3 — CID 7305656

IUPAC4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H19F3N2O3/c1-9-7-10(2)19-14(22)13(9)11(21)8-12(15(16,17)18)20-3-5-23-6-4-20/h7,12H,3-6,8H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyXLCQPLARZZQQJC-LBPRGKRZSA-N
MW332.32 g/mol
LogP1.83
Rot. Bonds4

About 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one

4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one (PubChem CID 7305656) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one
PubChem CID7305656
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H19F3N2O3/c1-9-7-10(2)19-14(22)13(9)11(21)8-12(15(16,17)18)20-3-5-23-6-4-20/h7,12H,3-6,8H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyXLCQPLARZZQQJC-LBPRGKRZSA-N
XLogP1.83
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one (CID 7305656) is 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)C[C@H](N2CCOCC2)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one?
The InChIKey is XLCQPLARZZQQJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9-7-10(2)19-14(22)13(9)11(21)8-12(15(16,17)18)20-3-5-23-6-4-20/h7,12H,3-6,8H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one has a molecular weight of 332.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[(3S)-4,4,4-trifluoro-3-morpholin-4-ylbutanoyl]-1H-pyridin-2-one is sourced from PubChem (CID 7305656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).