1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide

C13H23F3N2O2 — CID 126759836

IUPAC1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)18-6-4-10(5-7-18)12(19)17-8-11(20-3)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyFOYHILBUXFWAHX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds5

About 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide

1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide (PubChem CID 126759836) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
PubChem CID126759836
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide
SMILESCOC(CNC(=O)C1CCN(C(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H23F3N2O2/c1-9(2)18-6-4-10(5-7-18)12(19)17-8-11(20-3)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19)
InChIKeyFOYHILBUXFWAHX-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide (CID 126759836) is 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide is COC(CNC(=O)C1CCN(C(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
The InChIKey is FOYHILBUXFWAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(2)18-6-4-10(5-7-18)12(19)17-8-11(20-3)13(14,15)16/h9-11H,4-8H2,1-3H3,(H,17,19).
What are the key properties of 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide?
1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(3,3,3-trifluoro-2-methoxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 126759836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).