3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H24F3N3O2 — CID 71967377

IUPAC3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CC(F)(F)F)C(C)C1)C1CCOC1
InChIInChI=1S/C14H24F3N3O2/c1-10-7-19(4-5-20(10)9-14(15,16)17)13(21)18-11(2)12-3-6-22-8-12/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyKRXZUJLRVOOASO-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 71967377) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID71967377
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC Name3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(CC(F)(F)F)C(C)C1)C1CCOC1
InChIInChI=1S/C14H24F3N3O2/c1-10-7-19(4-5-20(10)9-14(15,16)17)13(21)18-11(2)12-3-6-22-8-12/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyKRXZUJLRVOOASO-UHFFFAOYSA-N
XLogP1.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 71967377) is 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC(NC(=O)N1CCN(CC(F)(F)F)C(C)C1)C1CCOC1.
What is the InChIKey of 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is KRXZUJLRVOOASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-10-7-19(4-5-20(10)9-14(15,16)17)13(21)18-11(2)12-3-6-22-8-12/h10-12H,3-9H2,1-2H3,(H,18,21).
What are the key properties of 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(oxolan-3-yl)ethyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71967377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).