1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione

C22H30ClN3O2 — CID 25269976

IUPAC1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-21(27)16-20(22(26)28)17-5-2-1-3-6-17/h4,7-8,15,17,20H,1-3,5-6,9-14,16H2
InChIKeyQPYSGTOGRJIZHL-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.42
Rot. Bonds5

About 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione (PubChem CID 25269976) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
PubChem CID25269976
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
SMILESO=C1CC(C2CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H30ClN3O2/c23-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-21(27)16-20(22(26)28)17-5-2-1-3-6-17/h4,7-8,15,17,20H,1-3,5-6,9-14,16H2
InChIKeyQPYSGTOGRJIZHL-UHFFFAOYSA-N
XLogP3.42
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.42
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

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
CID 42631196
N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 11442899
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86738729
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,5,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridine
CID 10571609
[1-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-yl] acetate
CID 13304595
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
CID 3075503
1-(3-chlorophenyl)azonane
CID 145391535
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]pyrrolidin-3-yl]methanol
CID 131905298
(3aR,7aR)-2-[4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92697379

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione (CID 25269976) is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione is O=C1CC(C2CCCCC2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione?
The InChIKey is QPYSGTOGRJIZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O2/c23-18-7-4-8-19(15-18)25-12-9-24(10-13-25)11-14-26-21(27)16-20(22(26)28)17-5-2-1-3-6-17/h4,7-8,15,17,20H,1-3,5-6,9-14,16H2.
What are the key properties of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione?
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione has a molecular weight of 403.95 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione is sourced from PubChem (CID 25269976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).