1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione

C14H24N2O2 — CID 82937316

IUPAC1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-3-7-12-13(17)15-11(4-2)14(18)16(12)10-8-5-6-9-10/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyQMVHCTMSACCHAA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.83
Rot. Bonds4

About 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione

1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione (PubChem CID 82937316) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
PubChem CID82937316
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(CC)C(=O)N1C1CCCC1
InChIInChI=1S/C14H24N2O2/c1-3-7-12-13(17)15-11(4-2)14(18)16(12)10-8-5-6-9-10/h10-12H,3-9H2,1-2H3,(H,15,17)
InChIKeyQMVHCTMSACCHAA-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione (CID 82937316) is 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(CC)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione?
The InChIKey is QMVHCTMSACCHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-7-12-13(17)15-11(4-2)14(18)16(12)10-8-5-6-9-10/h10-12H,3-9H2,1-2H3,(H,15,17).
What are the key properties of 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione?
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 82937316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).