1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione

C17H26N2O2 — CID 106171898

IUPAC1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCC1=CCCC1
InChIInChI=1S/C17H26N2O2/c1-3-14-15(20)18-17(2,13-8-9-13)16(21)19(14)11-10-12-6-4-5-7-12/h6,13-14H,3-5,7-11H2,1-2H3,(H,18,20)
InChIKeyZHDUOALMXQMWMI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione

1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 106171898) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID106171898
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1CCC1=CCCC1
InChIInChI=1S/C17H26N2O2/c1-3-14-15(20)18-17(2,13-8-9-13)16(21)19(14)11-10-12-6-4-5-7-12/h6,13-14H,3-5,7-11H2,1-2H3,(H,18,20)
InChIKeyZHDUOALMXQMWMI-UHFFFAOYSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
3-cyclopropyl-6-ethyl-3-methyl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971066
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
3-cyclopropyl-6-ethyl-3-methyl-1-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 64970923
1-butyl-3-cyclopropyl-3-methyl-6-propylpiperazine-2,5-dione
CID 64887854
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-6-ethyl-1-(furan-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 64957705
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
1-[2-(cyclohexen-1-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
CID 107851383
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione (CID 106171898) is 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1CCC1=CCCC1.
What is the InChIKey of 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is ZHDUOALMXQMWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-14-15(20)18-17(2,13-8-9-13)16(21)19(14)11-10-12-6-4-5-7-12/h6,13-14H,3-5,7-11H2,1-2H3,(H,18,20).
What are the key properties of 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione?
1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 290.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopenten-1-yl)ethyl]-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 106171898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).