N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C21H21F3N4O3 — CID 86969180

IUPACN-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H21F3N4O3/c22-21(23,24)16-5-1-15(2-6-16)20(31)26-13-18(29)28-11-9-27(10-12-28)17-7-3-14(4-8-17)19(25)30/h1-8H,9-13H2,(H2,25,30)(H,26,31)
InChIKeyBGJYSOIYTLCHPH-UHFFFAOYSA-N
MW434.42 g/mol
LogP1.88
Rot. Bonds5

About N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 86969180) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID86969180
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H21F3N4O3/c22-21(23,24)16-5-1-15(2-6-16)20(31)26-13-18(29)28-11-9-27(10-12-28)17-7-3-14(4-8-17)19(25)30/h1-8H,9-13H2,(H2,25,30)(H,26,31)
InChIKeyBGJYSOIYTLCHPH-UHFFFAOYSA-N
XLogP1.88
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide 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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9081766
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119376008
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 9081569
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetic acid
CID 6736505
4-hydroxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 167913460
(2R)-2-amino-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 97341723
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-tert-butylbenzamide
CID 34839400
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]benzamide
CID 26778544
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119624595
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)anilino]ethanone
CID 51183110

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 86969180) is N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is NC(=O)c1ccc(N2CCN(C(=O)CNC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BGJYSOIYTLCHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c22-21(23,24)16-5-1-15(2-6-16)20(31)26-13-18(29)28-11-9-27(10-12-28)17-7-3-14(4-8-17)19(25)30/h1-8H,9-13H2,(H2,25,30)(H,26,31).
What are the key properties of N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 434.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86969180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).