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

C14H24F3N3O — CID 120813621

IUPAC1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C14H24F3N3O/c1-2-13(4-3-5-13)12(21)19-10-11(14(15,16)17)20-8-6-18-7-9-20/h11,18H,2-10H2,1H3,(H,19,21)
InChIKeyRLHKMGHIABDFAD-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.52
Rot. Bonds5

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

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (PubChem CID 120813621) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
PubChem CID120813621
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1
InChIInChI=1S/C14H24F3N3O/c1-2-13(4-3-5-13)12(21)19-10-11(14(15,16)17)20-8-6-18-7-9-20/h11,18H,2-10H2,1H3,(H,19,21)
InChIKeyRLHKMGHIABDFAD-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide (CID 120813621) is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is CCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
The InChIKey is RLHKMGHIABDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-2-13(4-3-5-13)12(21)19-10-11(14(15,16)17)20-8-6-18-7-9-20/h11,18H,2-10H2,1H3,(H,19,21).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide?
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 120813621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).