1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

C16H23F3N2O2 — CID 157041813

IUPAC1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C16H23F3N2O2/c1-12(2)14-10-13(16(17,18)19)11-21(15(14)22)5-3-4-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3
InChIKeyJYWHTPCYNDVHST-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.71
Rot. Bonds5

About 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one

1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041813) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041813
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C16H23F3N2O2/c1-12(2)14-10-13(16(17,18)19)11-21(15(14)22)5-3-4-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3
InChIKeyJYWHTPCYNDVHST-UHFFFAOYSA-N
XLogP2.71
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 144747832
CID 144747832
CID 157041508
CID 157041508
CID 157041510
CID 157041510
CID 157041511
CID 157041511
CID 157041812
CID 157041812
CID 157041819
CID 157041819
CID 157041906
CID 157041906
CID 157042121
CID 157042121
CID 157042519
CID 157042519
CID 164558740
CID 164558740
CID 164559867
CID 164559867
CID 164560058
CID 164560058

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041813) is 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is JYWHTPCYNDVHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-12(2)14-10-13(16(17,18)19)11-21(15(14)22)5-3-4-20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 332.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).