N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C18H22F3N3O2 — CID 24793118

IUPACN-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)11-24-9-8-22-17(26)15(24)10-16(25)23-13-5-3-6-13/h1-2,4,7,13,15H,3,5-6,8-11H2,(H,22,26)(H,23,25)
InChIKeyACYCWUMFXPFJHH-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.06
Rot. Bonds5

About N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 24793118) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID24793118
Molecular FormulaC18H22F3N3O2
Molecular Weight369.39 g/mol
Exact Mass369.17
IUPAC NameN-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCC1
InChIInChI=1S/C18H22F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)11-24-9-8-22-17(26)15(24)10-16(25)23-13-5-3-6-13/h1-2,4,7,13,15H,3,5-6,8-11H2,(H,22,26)(H,23,25)
InChIKeyACYCWUMFXPFJHH-UHFFFAOYSA-N
XLogP2.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
(S)-2-[(R)-3-amino-4-(2-fluorophenyl)butyryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 5494385
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-(3-phenylpropyl)acetamide
CID 23723417
N-[1-(2-fluorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
CID 23723581
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
2-(S)-Amino-4-benzylamino-1-piperidin-1-yl-butan-1-one
CID 9817010
N-(S)-Pyrrolidin-3-yl-N-(2-trifluoromethyl-benzyl)-isobutyramide
CID 11602095
(2S)-1-ethyl-5-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 49864952
(2R)-N-(4-Amino-3,4-dioxo-1-phenylbutan-2-yl)-5-oxo-1-[2-(trifluoromethyl)benzyl]-pyrrolidine-2-carboxamide
CID 66644843
US10285989, Example 31
CID 145996112
US10285989, Example 47
CID 145996128
US10285989, Example 60
CID 145996141

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 24793118) is N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(CC1C(=O)NCCN1Cc1ccccc1C(F)(F)F)NC1CCC1.
What is the InChIKey of N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is ACYCWUMFXPFJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c19-18(20,21)14-7-2-1-4-12(14)11-24-9-8-22-17(26)15(24)10-16(25)23-13-5-3-6-13/h1-2,4,7,13,15H,3,5-6,8-11H2,(H,22,26)(H,23,25).
What are the key properties of N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 369.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 24793118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).