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

C15H28F3N3O3 — CID 88750400

IUPACN-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC(CC)(OCC)N1CCN(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3O3/c1-4-14(23-5-2,24-6-3)21-11-9-20(10-12-21)8-7-19-13(22)15(16,17)18/h4-12H2,1-3H3,(H,19,22)
InChIKeyONXKYGULLAZVPC-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.42
Rot. Bonds9

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

N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 88750400) has the molecular formula C15H28F3N3O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID88750400
Molecular FormulaC15H28F3N3O3
Molecular Weight355.40 g/mol
Exact Mass355.21
IUPAC NameN-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESCCOC(CC)(OCC)N1CCN(CCNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H28F3N3O3/c1-4-14(23-5-2,24-6-3)21-11-9-20(10-12-21)8-7-19-13(22)15(16,17)18/h4-12H2,1-3H3,(H,19,22)
InChIKeyONXKYGULLAZVPC-UHFFFAOYSA-N
XLogP1.42
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.42
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-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide (CID 88750400) is N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide is CCOC(CC)(OCC)N1CCN(CCNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is ONXKYGULLAZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3N3O3/c1-4-14(23-5-2,24-6-3)21-11-9-20(10-12-21)8-7-19-13(22)15(16,17)18/h4-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 355.40 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,1-diethoxypropyl)piperazin-1-yl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88750400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).