N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C12H22F3N3O — CID 54871293

IUPACN-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C12H22F3N3O/c1-2-3-6-18(10-12(13,14)15)11(19)9-17-7-4-16-5-8-17/h16H,2-10H2,1H3
InChIKeyLYDPEGASRIDIHZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.08
Rot. Bonds6

About N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54871293) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54871293
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC NameN-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CN1CCNCC1
InChIInChI=1S/C12H22F3N3O/c1-2-3-6-18(10-12(13,14)15)11(19)9-17-7-4-16-5-8-17/h16H,2-10H2,1H3
InChIKeyLYDPEGASRIDIHZ-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 54871293) is N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CN1CCNCC1.
What is the InChIKey of N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LYDPEGASRIDIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-2-3-6-18(10-12(13,14)15)11(19)9-17-7-4-16-5-8-17/h16H,2-10H2,1H3.
What are the key properties of N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54871293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).