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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Related Compounds

CID 7175816
CID 7175816
CID 4798828
CID 4798828
CID 49677035
CID 49677035
CID 89590044
CID 89590044
CID 124199640
CID 124199640
CID 124199656
CID 124199656
CID 126759767
CID 126759767
CID 126759772
CID 126759772
CID 135177474
CID 135177474
CID 168164769
CID 168164769
CID 175623541
CID 175623541
CID 175727036
CID 175727036

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).