4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide

C22H23F3N4O2 — CID 86969741

IUPAC4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)16-3-7-18(8-4-16)29-10-9-19(21(29)31)28-13-11-27(12-14-28)17-5-1-15(2-6-17)20(26)30/h1-8,19H,9-14H2,(H2,26,30)
InChIKeyTXFSDYAMHUHOPY-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.73
Rot. Bonds4

About 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide

4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide (PubChem CID 86969741) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide
PubChem CID86969741
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(C3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1
InChIInChI=1S/C22H23F3N4O2/c23-22(24,25)16-3-7-18(8-4-16)29-10-9-19(21(29)31)28-13-11-27(12-14-28)17-5-1-15(2-6-17)20(26)30/h1-8,19H,9-14H2,(H2,26,30)
InChIKeyTXFSDYAMHUHOPY-UHFFFAOYSA-N
XLogP2.73
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904485
3-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 111122665
(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
N-[2-[4-(4-carbamoylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86969180
3-(4-cyclopropyltriazol-1-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 167776819
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
2-[4-[4-(4-carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 70107858
(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 1300263
2-[4-[4-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]acetic acid
CID 62823600
5-amino-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2,3-dihydro-1H-pyrazole-4-carbonitrile
CID 156805578
4-[4-[1-[5-(trifluoromethyl)-2-pyridinyl]triazole-4-carbonyl]piperazin-1-yl]benzamide
CID 86969216
(3R)-3-(4-hydroxypiperidin-1-yl)-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 95904468

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide (CID 86969741) is 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(C3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC2)cc1.
What is the InChIKey of 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide?
The InChIKey is TXFSDYAMHUHOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c23-22(24,25)16-3-7-18(8-4-16)29-10-9-19(21(29)31)28-13-11-27(12-14-28)17-5-1-15(2-6-17)20(26)30/h1-8,19H,9-14H2,(H2,26,30).
What are the key properties of 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide?
4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide has a molecular weight of 432.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).