methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate

C19H24F3NO3 — CID 46086812

IUPACmethyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3NO3/c1-26-18(25)4-2-3-17(24)23-11-9-15(10-12-23)13-14-5-7-16(8-6-14)19(20,21)22/h5-8,15H,2-4,9-13H2,1H3
InChIKeyWSZVIFKPPZVQLW-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.83
Rot. Bonds6

About methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate

methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate (PubChem CID 46086812) has the molecular formula C19H24F3NO3 and a molecular weight of 371.40 g/mol. Its IUPAC name is methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate
PubChem CID46086812
Molecular FormulaC19H24F3NO3
Molecular Weight371.40 g/mol
Exact Mass371.17
IUPAC Namemethyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H24F3NO3/c1-26-18(25)4-2-3-17(24)23-11-9-15(10-12-23)13-14-5-7-16(8-6-14)19(20,21)22/h5-8,15H,2-4,9-13H2,1H3
InChIKeyWSZVIFKPPZVQLW-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate?
The IUPAC name of methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate (CID 46086812) is methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate.
What is the SMILES notation for methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate?
The canonical SMILES for methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate is COC(=O)CCCC(=O)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate?
The InChIKey is WSZVIFKPPZVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO3/c1-26-18(25)4-2-3-17(24)23-11-9-15(10-12-23)13-14-5-7-16(8-6-14)19(20,21)22/h5-8,15H,2-4,9-13H2,1H3.
What are the key properties of methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate?
methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate has a molecular weight of 371.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-5-[4-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pentanoate is sourced from PubChem (CID 46086812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).