5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C15H22F2N2O2 — CID 176950730

IUPAC5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCOCC2)c1
InChIInChI=1S/C15H22F2N2O2/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19/h8-9,11H,3-7,10H2,1-2H3,(H,18,20)
InChIKeyDAARAPZXIATMLI-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.36
Rot. Bonds5

About 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one

5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 176950730) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID176950730
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCOCC2)c1
InChIInChI=1S/C15H22F2N2O2/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19/h8-9,11H,3-7,10H2,1-2H3,(H,18,20)
InChIKeyDAARAPZXIATMLI-UHFFFAOYSA-N
XLogP2.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 176950730) is 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one is CCC(F)(F)C(C)c1c[nH]c(=O)c(CN2CCOCC2)c1.
What is the InChIKey of 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is DAARAPZXIATMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-3-15(16,17)11(2)12-8-13(14(20)18-9-12)10-19-4-6-21-7-5-19/h8-9,11H,3-7,10H2,1-2H3,(H,18,20).
What are the key properties of 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 300.35 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropentan-2-yl)-3-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 176950730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).