2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C12H23F3N4O — CID 63340092

IUPAC2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CN)N1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-2-10(7-16)19-5-3-18(4-6-19)8-11(20)17-9-12(13,14)15/h10H,2-9,16H2,1H3,(H,17,20)
InChIKeyMFAMCWNTNQFUGQ-UHFFFAOYSA-N
MW296.34 g/mol
LogP0.02
Rot. Bonds6

About 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63340092) has the molecular formula C12H23F3N4O and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63340092
Molecular FormulaC12H23F3N4O
Molecular Weight296.34 g/mol
Exact Mass296.18
IUPAC Name2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CN)N1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H23F3N4O/c1-2-10(7-16)19-5-3-18(4-6-19)8-11(20)17-9-12(13,14)15/h10H,2-9,16H2,1H3,(H,17,20)
InChIKeyMFAMCWNTNQFUGQ-UHFFFAOYSA-N
XLogP0.02
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butylacetamide
CID 63340262
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 63340617
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
N-ethyl-2-[4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazin-1-yl]acetamide
CID 78924430
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-ethylpropanamide
CID 63340654
2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9300372
2-[4-(1-aminopentan-2-yl)piperazin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63343532
2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 4883653
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114876490
2-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 32711265
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 63340092) is 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CCC(CN)N1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MFAMCWNTNQFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N4O/c1-2-10(7-16)19-5-3-18(4-6-19)8-11(20)17-9-12(13,14)15/h10H,2-9,16H2,1H3,(H,17,20).
What are the key properties of 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 296.34 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63340092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).