2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide

C11H23N3O2 — CID 134583077

IUPAC2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-12-11(16)10-14-7-5-13(6-8-14)4-2-3-9-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyPQUVBATZOCXWCK-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.88
Rot. Bonds6

About 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide

2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 134583077) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
PubChem CID134583077
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(CCCCO)CC1
InChIInChI=1S/C11H23N3O2/c1-12-11(16)10-14-7-5-13(6-8-14)4-2-3-9-15/h15H,2-10H2,1H3,(H,12,16)
InChIKeyPQUVBATZOCXWCK-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
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 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide (CID 134583077) is 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(CCCCO)CC1.
What is the InChIKey of 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is PQUVBATZOCXWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-12-11(16)10-14-7-5-13(6-8-14)4-2-3-9-15/h15H,2-10H2,1H3,(H,12,16).
What are the key properties of 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 229.32 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 134583077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).