N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide

C13H22F3N3O — CID 120811767

IUPACN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)11(19-7-5-17-6-8-19)9-18-12(20)10-3-1-2-4-10/h10-11,17H,1-9H2,(H,18,20)
InChIKeyPFJFEWVACIOSPZ-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.13
Rot. Bonds4

About N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide (PubChem CID 120811767) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide
PubChem CID120811767
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCCC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)11(19-7-5-17-6-8-19)9-18-12(20)10-3-1-2-4-10/h10-11,17H,1-9H2,(H,18,20)
InChIKeyPFJFEWVACIOSPZ-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide (CID 120811767) is N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide?
The InChIKey is PFJFEWVACIOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)11(19-7-5-17-6-8-19)9-18-12(20)10-3-1-2-4-10/h10-11,17H,1-9H2,(H,18,20).
What are the key properties of N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide?
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentanecarboxamide is sourced from PubChem (CID 120811767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).