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

C18H29F3N2O2 — CID 157041812

IUPACethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C16H23F3N2O2.C2H6/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;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyZLGMOYXIUIXXPB-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.74
Rot. Bonds5

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

ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (PubChem CID 157041812) has the molecular formula C18H29F3N2O2 and a molecular weight of 362.44 g/mol. Its IUPAC name is ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
PubChem CID157041812
Molecular FormulaC18H29F3N2O2
Molecular Weight362.44 g/mol
Exact Mass362.22
IUPAC Nameethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
SMILESCC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O
InChIInChI=1S/C16H23F3N2O2.C2H6/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;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyZLGMOYXIUIXXPB-UHFFFAOYSA-N
XLogP3.74
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one (CID 157041812) is ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is CC.CC(C)c1cc(C(F)(F)F)cn(CCCN2CCOCC2)c1=O.
What is the InChIKey of ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZLGMOYXIUIXXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2.C2H6/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;1-2/h10-12H,3-9H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one?
ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 362.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 157041812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).