1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

C24H30F3N3O3 — CID 45183267

IUPAC1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C24H30F3N3O3/c1-15(2)19-14-28(3)9-10-29(19)20(31)12-23(13-21(32)30(22(23)33)18-7-8-18)16-5-4-6-17(11-16)24(25,26)27/h4-6,11,15,18-19H,7-10,12-14H2,1-3H3/t19-,23?/m1/s1
InChIKeyMNVSYCHQZQMARQ-HWYAHNCWSA-N
MW465.52 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (PubChem CID 45183267) has the molecular formula C24H30F3N3O3 and a molecular weight of 465.52 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
PubChem CID45183267
Molecular FormulaC24H30F3N3O3
Molecular Weight465.52 g/mol
Exact Mass465.22
IUPAC Name1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
SMILESCC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O
InChIInChI=1S/C24H30F3N3O3/c1-15(2)19-14-28(3)9-10-29(19)20(31)12-23(13-21(32)30(22(23)33)18-7-8-18)16-5-4-6-17(11-16)24(25,26)27/h4-6,11,15,18-19H,7-10,12-14H2,1-3H3/t19-,23?/m1/s1
InChIKeyMNVSYCHQZQMARQ-HWYAHNCWSA-N
XLogP3.05
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[2-[(3S)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 26342803
ethyl 4-[2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetyl]piperazine-1-carboxylate
CID 45209109
(3R)-1-cyclopropyl-3-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 26341961
(3S)-1-cyclopropyl-3-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42169373
2-[(3R)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(3R)-oxolan-3-yl]acetamide
CID 42345731
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-(oxolan-3-yl)acetamide
CID 45197329
(3S)-3-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-1-ethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42210715
2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 45188587
2-[(3S)-1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylacetamide
CID 26404419
1-cyclopentyl-3-(3-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 45172329
N-(cyclobutylmethyl)-2-[1-cyclopropyl-2,5-dioxo-3-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 45196249
(3S)-1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 125156885

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione (CID 45183267) is 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is CC(C)[C@H]1CN(C)CCN1C(=O)CC1(c2cccc(C(F)(F)F)c2)CC(=O)N(C2CC2)C1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
The InChIKey is MNVSYCHQZQMARQ-HWYAHNCWSA-N. The full InChI is InChI=1S/C24H30F3N3O3/c1-15(2)19-14-28(3)9-10-29(19)20(31)12-23(13-21(32)30(22(23)33)18-7-8-18)16-5-4-6-17(11-16)24(25,26)27/h4-6,11,15,18-19H,7-10,12-14H2,1-3H3/t19-,23?/m1/s1.
What are the key properties of 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione has a molecular weight of 465.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[(2S)-4-methyl-2-propan-2-ylpiperazin-1-yl]-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45183267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).