5-amino-1-(4-methoxybutyl)piperidin-2-one

C10H20N2O2 — CID 104650472

IUPAC5-amino-1-(4-methoxybutyl)piperidin-2-one
SMILESCOCCCCN1CC(N)CCC1=O
InChIInChI=1S/C10H20N2O2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h9H,2-8,11H2,1H3
InChIKeyFXTKGGRHWWZKMS-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds5

About 5-amino-1-(4-methoxybutyl)piperidin-2-one

5-amino-1-(4-methoxybutyl)piperidin-2-one (PubChem CID 104650472) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-amino-1-(4-methoxybutyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-(4-methoxybutyl)piperidin-2-one
PubChem CID104650472
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name5-amino-1-(4-methoxybutyl)piperidin-2-one
SMILESCOCCCCN1CC(N)CCC1=O
InChIInChI=1S/C10H20N2O2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h9H,2-8,11H2,1H3
InChIKeyFXTKGGRHWWZKMS-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 5-amino-1-(4-methoxybutyl)piperidin-2-one?
The IUPAC name of 5-amino-1-(4-methoxybutyl)piperidin-2-one (CID 104650472) is 5-amino-1-(4-methoxybutyl)piperidin-2-one.
What is the SMILES notation for 5-amino-1-(4-methoxybutyl)piperidin-2-one?
The canonical SMILES for 5-amino-1-(4-methoxybutyl)piperidin-2-one is COCCCCN1CC(N)CCC1=O.
What is the InChIKey of 5-amino-1-(4-methoxybutyl)piperidin-2-one?
The InChIKey is FXTKGGRHWWZKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-7-3-2-6-12-8-9(11)4-5-10(12)13/h9H,2-8,11H2,1H3.
What are the key properties of 5-amino-1-(4-methoxybutyl)piperidin-2-one?
5-amino-1-(4-methoxybutyl)piperidin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxybutyl)piperidin-2-one is sourced from PubChem (CID 104650472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).