N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide

C9H17N3O3 — CID 69091589

IUPACN-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCCCO)C(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O3/c13-7-1-2-11-8(14)9(15)12-5-3-10-4-6-12/h10,13H,1-7H2,(H,11,14)
InChIKeyVQPXONIXDZORPQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-2.08
Rot. Bonds3

About N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide

N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 69091589) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID69091589
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide
SMILESO=C(NCCCO)C(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O3/c13-7-1-2-11-8(14)9(15)12-5-3-10-4-6-12/h10,13H,1-7H2,(H,11,14)
InChIKeyVQPXONIXDZORPQ-UHFFFAOYSA-N
XLogP-2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide (CID 69091589) is N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide is O=C(NCCCO)C(=O)N1CCNCC1.
What is the InChIKey of N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is VQPXONIXDZORPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c13-7-1-2-11-8(14)9(15)12-5-3-10-4-6-12/h10,13H,1-7H2,(H,11,14).
What are the key properties of N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide?
N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 215.25 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 69091589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).