4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione

C22H22ClFN2O2 — CID 4079089

IUPAC4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C(=O)CN1C1CCCC1
InChIInChI=1S/C22H22ClFN2O2/c23-17-9-5-15(6-10-17)13-26-20(27)14-25(19-3-1-2-4-19)22(28)21(26)16-7-11-18(24)12-8-16/h5-12,19,21H,1-4,13-14H2
InChIKeyIJIFVGCGJGXPPL-UHFFFAOYSA-N
MW400.88 g/mol
LogP4.33
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione

4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 4079089) has the molecular formula C22H22ClFN2O2 and a molecular weight of 400.88 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID4079089
Molecular FormulaC22H22ClFN2O2
Molecular Weight400.88 g/mol
Exact Mass400.14
IUPAC Name4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C(=O)CN1C1CCCC1
InChIInChI=1S/C22H22ClFN2O2/c23-17-9-5-15(6-10-17)13-26-20(27)14-25(19-3-1-2-4-19)22(28)21(26)16-7-11-18(24)12-8-16/h5-12,19,21H,1-4,13-14H2
InChIKeyIJIFVGCGJGXPPL-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.88
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 4079089) is 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(Cc2ccc(Cl)cc2)C(=O)CN1C1CCCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is IJIFVGCGJGXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN2O2/c23-17-9-5-15(6-10-17)13-26-20(27)14-25(19-3-1-2-4-19)22(28)21(26)16-7-11-18(24)12-8-16/h5-12,19,21H,1-4,13-14H2.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione?
4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 400.88 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 4079089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).