N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide

C19H26F3N3O2 — CID 134043894

IUPACN-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-3-14(2)23-17(26)13-24-8-10-25(11-9-24)18(27)12-15-4-6-16(7-5-15)19(20,21)22/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyLUOZYOLGMQKAKM-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.31
Rot. Bonds6

About N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide (PubChem CID 134043894) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide
PubChem CID134043894
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-3-14(2)23-17(26)13-24-8-10-25(11-9-24)18(27)12-15-4-6-16(7-5-15)19(20,21)22/h4-7,14H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyLUOZYOLGMQKAKM-UHFFFAOYSA-N
XLogP2.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043706
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
N-butan-2-yl-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 134043738
N-butan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 42913680
N-butan-2-yl-2-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043855
N-butan-2-yl-2-[4-(3-thiophen-3-ylpropanoyl)piperazin-1-yl]acetamide
CID 134043866
N-butan-2-yl-2-[4-[4-(trifluoromethoxy)benzoyl]piperazin-1-yl]acetamide
CID 134043731
N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-(1-bromopropan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114310617
2-(4-tert-butylphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110766836
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide (CID 134043894) is N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is LUOZYOLGMQKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-3-14(2)23-17(26)13-24-8-10-25(11-9-24)18(27)12-15-4-6-16(7-5-15)19(20,21)22/h4-7,14H,3,8-13H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-[2-[4-(trifluoromethyl)phenyl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 134043894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).