1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione

C20H25F4N3O3 — CID 11683423

IUPAC1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCN1CCN(c2cc(F)ccc2OCC(F)(F)F)CC1
InChIInChI=1S/C20H25F4N3O3/c21-15-5-6-17(30-14-20(22,23)24)16(13-15)26-11-9-25(10-12-26)7-2-8-27-18(28)3-1-4-19(27)29/h5-6,13H,1-4,7-12,14H2
InChIKeyRCKAJBBKVKPHEZ-UHFFFAOYSA-N
MW431.43 g/mol
LogP2.82
Rot. Bonds7

About 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione

1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione (PubChem CID 11683423) has the molecular formula C20H25F4N3O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione
PubChem CID11683423
Molecular FormulaC20H25F4N3O3
Molecular Weight431.43 g/mol
Exact Mass431.18
IUPAC Name1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCN1CCN(c2cc(F)ccc2OCC(F)(F)F)CC1
InChIInChI=1S/C20H25F4N3O3/c21-15-5-6-17(30-14-20(22,23)24)16(13-15)26-11-9-25(10-12-26)7-2-8-27-18(28)3-1-4-19(27)29/h5-6,13H,1-4,7-12,14H2
InChIKeyRCKAJBBKVKPHEZ-UHFFFAOYSA-N
XLogP2.82
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(cyclopropylamino)methyl]-1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 11260282
3-[(cyclopropylamino)methyl]-1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
CID 69437588
2-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11190585
1-[3-[4-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 70202309
3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-1,3-thiazolidine-2,4-dione
CID 11554265
2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 10390763
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 11440314
1-(3-bromopropyl)-4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazine
CID 70202671
5-methylidene-3-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]pyrimidine-2,4-dione;hydrochloride
CID 172652679
3,4-diethyl-1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69433853
1-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-3,3,4-trimethylpyrrolidine-2,5-dione
CID 11502029
3-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]-1-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione;hydrochloride
CID 69079694

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione?
The IUPAC name of 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione (CID 11683423) is 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione?
The canonical SMILES for 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCCN1CCN(c2cc(F)ccc2OCC(F)(F)F)CC1.
What is the InChIKey of 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione?
The InChIKey is RCKAJBBKVKPHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F4N3O3/c21-15-5-6-17(30-14-20(22,23)24)16(13-15)26-11-9-25(10-12-26)7-2-8-27-18(28)3-1-4-19(27)29/h5-6,13H,1-4,7-12,14H2.
What are the key properties of 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione?
1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione has a molecular weight of 431.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propyl]piperidine-2,6-dione is sourced from PubChem (CID 11683423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).