1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione

C10H18N2O3 — CID 115825071

IUPAC1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCCCO)CC1=O
InChIInChI=1S/C10H18N2O3/c1-11-7-10(15)12(8-9(11)14)5-3-2-4-6-13/h13H,2-8H2,1H3
InChIKeyMDIBSMKNMUNRKN-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.55
Rot. Bonds5

About 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione

1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione (PubChem CID 115825071) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
PubChem CID115825071
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CCCCCO)CC1=O
InChIInChI=1S/C10H18N2O3/c1-11-7-10(15)12(8-9(11)14)5-3-2-4-6-13/h13H,2-8H2,1H3
InChIKeyMDIBSMKNMUNRKN-UHFFFAOYSA-N
XLogP-0.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione (CID 115825071) is 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CCCCCO)CC1=O.
What is the InChIKey of 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione?
The InChIKey is MDIBSMKNMUNRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-7-10(15)12(8-9(11)14)5-3-2-4-6-13/h13H,2-8H2,1H3.
What are the key properties of 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione?
1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 115825071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).