1-(3-hydroxypropyl)piperazine-2,6-dione

C7H12N2O3 — CID 66062838

IUPAC1-(3-hydroxypropyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCCO
InChIInChI=1S/C7H12N2O3/c10-3-1-2-9-6(11)4-8-5-7(9)12/h8,10H,1-5H2
InChIKeyMQICFVDOKVDWLV-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.67
Rot. Bonds3

About 1-(3-hydroxypropyl)piperazine-2,6-dione

1-(3-hydroxypropyl)piperazine-2,6-dione (PubChem CID 66062838) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)piperazine-2,6-dione
PubChem CID66062838
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-(3-hydroxypropyl)piperazine-2,6-dione
SMILESO=C1CNCC(=O)N1CCCO
InChIInChI=1S/C7H12N2O3/c10-3-1-2-9-6(11)4-8-5-7(9)12/h8,10H,1-5H2
InChIKeyMQICFVDOKVDWLV-UHFFFAOYSA-N
XLogP-1.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)piperazine-2,6-dione?
The IUPAC name of 1-(3-hydroxypropyl)piperazine-2,6-dione (CID 66062838) is 1-(3-hydroxypropyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)piperazine-2,6-dione?
The canonical SMILES for 1-(3-hydroxypropyl)piperazine-2,6-dione is O=C1CNCC(=O)N1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)piperazine-2,6-dione?
The InChIKey is MQICFVDOKVDWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c10-3-1-2-9-6(11)4-8-5-7(9)12/h8,10H,1-5H2.
What are the key properties of 1-(3-hydroxypropyl)piperazine-2,6-dione?
1-(3-hydroxypropyl)piperazine-2,6-dione has a molecular weight of 172.18 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)piperazine-2,6-dione is sourced from PubChem (CID 66062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).