propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate

C22H24F3N3O5 — CID 57468364

IUPACpropan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(NC(=O)C(F)(F)F)cc3)c(=O)c2)CC1
InChIInChI=1S/C22H24F3N3O5/c1-14(2)32-21(31)27-10-7-17(8-11-27)33-18-9-12-28(19(29)13-18)16-5-3-15(4-6-16)26-20(30)22(23,24)25/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,26,30)
InChIKeyHZFIAKNIQOZOSF-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.73
Rot. Bonds5

About propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate

propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 57468364) has the molecular formula C22H24F3N3O5 and a molecular weight of 467.44 g/mol. Its IUPAC name is propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID57468364
Molecular FormulaC22H24F3N3O5
Molecular Weight467.44 g/mol
Exact Mass467.17
IUPAC Namepropan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(NC(=O)C(F)(F)F)cc3)c(=O)c2)CC1
InChIInChI=1S/C22H24F3N3O5/c1-14(2)32-21(31)27-10-7-17(8-11-27)33-18-9-12-28(19(29)13-18)16-5-3-15(4-6-16)26-20(30)22(23,24)25/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,26,30)
InChIKeyHZFIAKNIQOZOSF-UHFFFAOYSA-N
XLogP3.73
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 57468364) is propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2ccn(-c3ccc(NC(=O)C(F)(F)F)cc3)c(=O)c2)CC1.
What is the InChIKey of propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is HZFIAKNIQOZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O5/c1-14(2)32-21(31)27-10-7-17(8-11-27)33-18-9-12-28(19(29)13-18)16-5-3-15(4-6-16)26-20(30)22(23,24)25/h3-6,9,12-14,17H,7-8,10-11H2,1-2H3,(H,26,30).
What are the key properties of propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate?
propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 467.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[[2-oxo-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 57468364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).