5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide

C14H24F3N3O2 — CID 120810657

IUPAC5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
SMILESCCC1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)O1
InChIInChI=1S/C14H24F3N3O2/c1-2-10-3-4-11(22-10)13(21)19-9-12(14(15,16)17)20-7-5-18-6-8-20/h10-12,18H,2-9H2,1H3,(H,19,21)
InChIKeyKCEISDGMDVPQKT-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.90
Rot. Bonds5

About 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide

5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide (PubChem CID 120810657) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
PubChem CID120810657
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide
SMILESCCC1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)O1
InChIInChI=1S/C14H24F3N3O2/c1-2-10-3-4-11(22-10)13(21)19-9-12(14(15,16)17)20-7-5-18-6-8-20/h10-12,18H,2-9H2,1H3,(H,19,21)
InChIKeyKCEISDGMDVPQKT-UHFFFAOYSA-N
XLogP0.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide?
The IUPAC name of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide (CID 120810657) is 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide is CCC1CCC(C(=O)NCC(N2CCNCC2)C(F)(F)F)O1.
What is the InChIKey of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide?
The InChIKey is KCEISDGMDVPQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-2-10-3-4-11(22-10)13(21)19-9-12(14(15,16)17)20-7-5-18-6-8-20/h10-12,18H,2-9H2,1H3,(H,19,21).
What are the key properties of 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide?
5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 120810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).