3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione

C22H29ClN2O2 — CID 4638259

IUPAC3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1CCC(N2CC(=O)N(C3CCCC3)C(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C22H29ClN2O2/c1-15-6-12-18(13-7-15)24-14-20(26)25(19-4-2-3-5-19)21(22(24)27)16-8-10-17(23)11-9-16/h8-11,15,18-19,21H,2-7,12-14H2,1H3
InChIKeyBKCWWCVUEDVQBD-UHFFFAOYSA-N
MW388.94 g/mol
LogP4.57
Rot. Bonds3

About 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione

3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione (PubChem CID 4638259) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
PubChem CID4638259
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
SMILESCC1CCC(N2CC(=O)N(C3CCCC3)C(c3ccc(Cl)cc3)C2=O)CC1
InChIInChI=1S/C22H29ClN2O2/c1-15-6-12-18(13-7-15)24-14-20(26)25(19-4-2-3-5-19)21(22(24)27)16-8-10-17(23)11-9-16/h8-11,15,18-19,21H,2-7,12-14H2,1H3
InChIKeyBKCWWCVUEDVQBD-UHFFFAOYSA-N
XLogP4.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione (CID 4638259) is 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione is CC1CCC(N2CC(=O)N(C3CCCC3)C(c3ccc(Cl)cc3)C2=O)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
The InChIKey is BKCWWCVUEDVQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-15-6-12-18(13-7-15)24-14-20(26)25(19-4-2-3-5-19)21(22(24)27)16-8-10-17(23)11-9-16/h8-11,15,18-19,21H,2-7,12-14H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione?
3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione has a molecular weight of 388.94 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-cyclopentyl-1-(4-methylcyclohexyl)piperazine-2,5-dione is sourced from PubChem (CID 4638259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).