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

C15H26F3N3O — CID 120810645

IUPAC1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1
InChIInChI=1S/C15H26F3N3O/c1-2-14(5-3-4-6-14)13(22)20-11-12(15(16,17)18)21-9-7-19-8-10-21/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeyFODXHEUMZZSDBK-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.91
Rot. Bonds5

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

1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 120810645) has the molecular formula C15H26F3N3O and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
PubChem CID120810645
Molecular FormulaC15H26F3N3O
Molecular Weight321.39 g/mol
Exact Mass321.20
IUPAC Name1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1
InChIInChI=1S/C15H26F3N3O/c1-2-14(5-3-4-6-14)13(22)20-11-12(15(16,17)18)21-9-7-19-8-10-21/h12,19H,2-11H2,1H3,(H,20,22)
InChIKeyFODXHEUMZZSDBK-UHFFFAOYSA-N
XLogP1.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.91
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)cyclopentane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (CID 120810645) is 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide is CCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1.
What is the InChIKey of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is FODXHEUMZZSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N3O/c1-2-14(5-3-4-6-14)13(22)20-11-12(15(16,17)18)21-9-7-19-8-10-21/h12,19H,2-11H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 1.91, 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)cyclopentane-1-carboxamide is sourced from PubChem (CID 120810645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).