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

C9H19N3O2 — CID 60850365

IUPACN-(3-hydroxypropyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCCO
InChIInChI=1S/C9H19N3O2/c13-7-1-2-11-9(14)8-12-5-3-10-4-6-12/h10,13H,1-8H2,(H,11,14)
InChIKeyQOKXUFARWLTLHE-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.61
Rot. Bonds5

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

N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide (PubChem CID 60850365) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-piperazin-1-ylacetamide
PubChem CID60850365
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-(3-hydroxypropyl)-2-piperazin-1-ylacetamide
SMILESO=C(CN1CCNCC1)NCCCO
InChIInChI=1S/C9H19N3O2/c13-7-1-2-11-9(14)8-12-5-3-10-4-6-12/h10,13H,1-8H2,(H,11,14)
InChIKeyQOKXUFARWLTLHE-UHFFFAOYSA-N
XLogP-1.61
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide (CID 60850365) is N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide is O=C(CN1CCNCC1)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide?
The InChIKey is QOKXUFARWLTLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c13-7-1-2-11-9(14)8-12-5-3-10-4-6-12/h10,13H,1-8H2,(H,11,14).
What are the key properties of N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide?
N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide has a molecular weight of 201.27 g/mol, XLogP of -1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 60850365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).