1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione

C9H16N2O3 — CID 62928789

IUPAC1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
SMILESCCC(O)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-7(12)6-11-5-4-10(2)8(13)9(11)14/h7,12H,3-6H2,1-2H3
InChIKeyPWIOOGCPFBPATH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.94
Rot. Bonds3

About 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione

1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione (PubChem CID 62928789) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
PubChem CID62928789
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione
SMILESCCC(O)CN1CCN(C)C(=O)C1=O
InChIInChI=1S/C9H16N2O3/c1-3-7(12)6-11-5-4-10(2)8(13)9(11)14/h7,12H,3-6H2,1-2H3
InChIKeyPWIOOGCPFBPATH-UHFFFAOYSA-N
XLogP-0.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione (CID 62928789) is 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione is CCC(O)CN1CCN(C)C(=O)C1=O.
What is the InChIKey of 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione?
The InChIKey is PWIOOGCPFBPATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-7(12)6-11-5-4-10(2)8(13)9(11)14/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione?
1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione has a molecular weight of 200.24 g/mol, XLogP of -0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybutyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 62928789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).