4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one

C10H18N2O3 — CID 79199644

IUPAC4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCCCO
InChIInChI=1S/C10H18N2O3/c1-8-10(15)11-5-6-12(8)9(14)4-2-3-7-13/h8,13H,2-7H2,1H3,(H,11,15)
InChIKeyOEJOUIKMDZRRQV-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.50
Rot. Bonds4

About 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one

4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one (PubChem CID 79199644) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one
PubChem CID79199644
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)CCCCO
InChIInChI=1S/C10H18N2O3/c1-8-10(15)11-5-6-12(8)9(14)4-2-3-7-13/h8,13H,2-7H2,1H3,(H,11,15)
InChIKeyOEJOUIKMDZRRQV-UHFFFAOYSA-N
XLogP-0.50
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
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 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one (CID 79199644) is 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)CCCCO.
What is the InChIKey of 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one?
The InChIKey is OEJOUIKMDZRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8-10(15)11-5-6-12(8)9(14)4-2-3-7-13/h8,13H,2-7H2,1H3,(H,11,15).
What are the key properties of 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one?
4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxypentanoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 79199644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).