3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione

C17H26N2O2 — CID 106172026

IUPAC3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCC2=CCCC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C17H26N2O2/c20-15-12-19(11-10-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h6,14,16H,1-5,7-12H2,(H,18,20)
InChIKeyRSIFBDGARFBETJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds4

About 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione

3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione (PubChem CID 106172026) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione
PubChem CID106172026
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione
SMILESO=C1CN(CCC2=CCCC2)C(=O)C(C2CCCCC2)N1
InChIInChI=1S/C17H26N2O2/c20-15-12-19(11-10-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h6,14,16H,1-5,7-12H2,(H,18,20)
InChIKeyRSIFBDGARFBETJ-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione (CID 106172026) is 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione is O=C1CN(CCC2=CCCC2)C(=O)C(C2CCCCC2)N1.
What is the InChIKey of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione?
The InChIKey is RSIFBDGARFBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-15-12-19(11-10-13-6-4-5-7-13)17(21)16(18-15)14-8-2-1-3-9-14/h6,14,16H,1-5,7-12H2,(H,18,20).
What are the key properties of 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione?
3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(cyclopenten-1-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106172026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).