1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

C23H23ClF2N2O2 — CID 5306089

IUPAC1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF2N2O2/c24-17-3-5-20(6-4-17)28-22(29)14-21(23(28)30)27-9-7-15(8-10-27)1-2-16-11-18(25)13-19(26)12-16/h3-6,11-13,15,21H,1-2,7-10,14H2
InChIKeyCMRPYUAFIZDBOK-UHFFFAOYSA-N
MW432.90 g/mol
LogP4.59
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione

1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 5306089) has the molecular formula C23H23ClF2N2O2 and a molecular weight of 432.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID5306089
Molecular FormulaC23H23ClF2N2O2
Molecular Weight432.90 g/mol
Exact Mass432.14
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
SMILESO=C1CC(N2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF2N2O2/c24-17-3-5-20(6-4-17)28-22(29)14-21(23(28)30)27-9-7-15(8-10-27)1-2-16-11-18(25)13-19(26)12-16/h3-6,11-13,15,21H,1-2,7-10,14H2
InChIKeyCMRPYUAFIZDBOK-UHFFFAOYSA-N
XLogP4.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 5306088
ethyl 4-[(3R)-3-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 41284746
3-(4-benzylpiperidin-1-yl)-1-(4-chlorophenyl)pyrrolidine-2,5-dione
CID 2851208
1-(4-fluorophenyl)-3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione
CID 17118443
(3R)-1-(4-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1115587
(3S)-1-(4-chlorophenyl)-3-[4-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7353574
(3S)-1-(4-chlorophenyl)-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 7327225
(3S)-1-(4-chlorophenyl)-3-[4-[(3-methylphenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 9357851
(3R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
CID 1353414
(3R)-1-(3-chlorophenyl)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1255850
(3S)-1-(3-chloro-4-fluorophenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358160
(3R)-1-(3-chlorophenyl)-3-[4-(4-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1087586

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione (CID 5306089) is 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is O=C1CC(N2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is CMRPYUAFIZDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O2/c24-17-3-5-20(6-4-17)28-22(29)14-21(23(28)30)27-9-7-15(8-10-27)1-2-16-11-18(25)13-19(26)12-16/h3-6,11-13,15,21H,1-2,7-10,14H2.
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione?
1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 432.90 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-(3,5-difluorophenyl)ethyl]piperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 5306089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).