3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one

C17H25F3N2O2 — CID 157042519

IUPAC3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C17H25F3N2O2/c1-16(2,3)14-11-13(17(18,19)20)12-22(15(14)23)6-4-5-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3
InChIKeyCBWYQBYHMPDKIH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.89
Rot. Bonds4

About 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one

3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157042519) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
PubChem CID157042519
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C17H25F3N2O2/c1-16(2,3)14-11-13(17(18,19)20)12-22(15(14)23)6-4-5-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3
InChIKeyCBWYQBYHMPDKIH-UHFFFAOYSA-N
XLogP2.89
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812
3-Tert-butyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041819
1-(1,4-Dioxan-2-ylmethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one;ethane
CID 157041906
3-Tert-butyl-1-(1,4-dioxan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157042121
3-Tert-butyl-1-(4-methoxyoxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 157042399
3-Methyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 167584976
3-Tert-butyl-1-(3-piperidin-1-ylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 167710587
3-Tert-butyl-1-(4-methyloxan-3-yl)-5-(trifluoromethyl)pyridin-2-one
CID 170109527
3-Tert-butyl-1-[3-[1-(2-methoxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]-3-methylbutyl]-5-(trifluoromethyl)pyridin-2-one
CID 170112171

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one (CID 157042519) is 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is CC(C)(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is CBWYQBYHMPDKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-16(2,3)14-11-13(17(18,19)20)12-22(15(14)23)6-4-5-21-7-9-24-10-8-21/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one?
3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157042519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).