ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate

C17H21F3N2O4 — CID 71798721

IUPACethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H21F3N2O4/c1-2-25-16(24)6-5-15(23)22-9-7-13(8-10-22)26-14-4-3-12(11-21-14)17(18,19)20/h3-4,11,13H,2,5-10H2,1H3
InChIKeyLXBLDGOUFRXXPN-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.81
Rot. Bonds6

About ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate

ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate (PubChem CID 71798721) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate
PubChem CID71798721
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Nameethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H21F3N2O4/c1-2-25-16(24)6-5-15(23)22-9-7-13(8-10-22)26-14-4-3-12(11-21-14)17(18,19)20/h3-4,11,13H,2,5-10H2,1H3
InChIKeyLXBLDGOUFRXXPN-UHFFFAOYSA-N
XLogP2.81
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate (CID 71798721) is ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate is CCOC(=O)CCC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate?
The InChIKey is LXBLDGOUFRXXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-2-25-16(24)6-5-15(23)22-9-7-13(8-10-22)26-14-4-3-12(11-21-14)17(18,19)20/h3-4,11,13H,2,5-10H2,1H3.
What are the key properties of ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate?
ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate has a molecular weight of 374.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]butanoate is sourced from PubChem (CID 71798721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).