N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide

C15H28F3N3O3 — CID 88750398

IUPACN-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC(CCN1CCN(CCNC(=O)C(F)(F)F)CC1)OCC
InChIInChI=1S/C15H28F3N3O3/c1-3-23-13(24-4-2)5-7-20-9-11-21(12-10-20)8-6-19-14(22)15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22)
InChIKeyLGRZKEITOSFIOT-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.07
Rot. Bonds10

About N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 88750398) has the molecular formula C15H28F3N3O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID88750398
Molecular FormulaC15H28F3N3O3
Molecular Weight355.40 g/mol
Exact Mass355.21
IUPAC NameN-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC(CCN1CCN(CCNC(=O)C(F)(F)F)CC1)OCC
InChIInChI=1S/C15H28F3N3O3/c1-3-23-13(24-4-2)5-7-20-9-11-21(12-10-20)8-6-19-14(22)15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22)
InChIKeyLGRZKEITOSFIOT-UHFFFAOYSA-N
XLogP1.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide (CID 88750398) is N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide is CCOC(CCN1CCN(CCNC(=O)C(F)(F)F)CC1)OCC.
What is the InChIKey of N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is LGRZKEITOSFIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O3/c1-3-23-13(24-4-2)5-7-20-9-11-21(12-10-20)8-6-19-14(22)15(16,17)18/h13H,3-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 355.40 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,3-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88750398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).