1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

C15H26F3N3O2 — CID 120812303

IUPAC1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C15H26F3N3O2/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeyQULMENAQLSYARZ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.15
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide

1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 120812303) has the molecular formula C15H26F3N3O2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID120812303
Molecular FormulaC15H26F3N3O2
Molecular Weight337.39 g/mol
Exact Mass337.20
IUPAC Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C15H26F3N3O2/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeyQULMENAQLSYARZ-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (CID 120812303) is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is COCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is QULMENAQLSYARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O2/c1-23-10-5-14(3-2-4-14)13(22)20-11-12(15(16,17)18)21-8-6-19-7-9-21/h12,19H,2-11H2,1H3,(H,20,22).
What are the key properties of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 337.39 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120812303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).