1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione

C15H22N2O2 — CID 114420569

IUPAC1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
SMILESC#CC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C15H22N2O2/c1-4-10(2)17-11(3)14(18)16-13(15(17)19)12-8-6-5-7-9-12/h1,10-13H,5-9H2,2-3H3,(H,16,18)
InChIKeyGSRLXSBUSOMTOM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds2

About 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione

1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione (PubChem CID 114420569) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
PubChem CID114420569
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione
SMILESC#CC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C
InChIInChI=1S/C15H22N2O2/c1-4-10(2)17-11(3)14(18)16-13(15(17)19)12-8-6-5-7-9-12/h1,10-13H,5-9H2,2-3H3,(H,16,18)
InChIKeyGSRLXSBUSOMTOM-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-cyclohexyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64887376
1-but-3-yn-2-yl-3-cyclohexylpiperazine-2,5-dione
CID 114420556
3-cyclohexyl-6-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958271
1-but-3-yn-2-yl-3-cyclopropyl-6-propan-2-ylpiperazine-2,5-dione
CID 114420582
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-cyclohexyl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64884024
3-cyclopropyl-6-methyl-1-[1-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64960448
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-1-[1-(2-fluorophenyl)ethyl]-6-methylpiperazine-2,5-dione
CID 64966030
1-but-3-yn-2-yl-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 114420520
3-cyclopropyl-6-methyl-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64973178

Frequently Asked Questions

What is the IUPAC name of 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione (CID 114420569) is 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione is C#CC(C)N1C(=O)C(C2CCCCC2)NC(=O)C1C.
What is the InChIKey of 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione?
The InChIKey is GSRLXSBUSOMTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10(2)17-11(3)14(18)16-13(15(17)19)12-8-6-5-7-9-12/h1,10-13H,5-9H2,2-3H3,(H,16,18).
What are the key properties of 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione?
1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione has a molecular weight of 262.35 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-yn-2-yl-3-cyclohexyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 114420569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).