2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide

C11H20N2O2 — CID 60642393

IUPAC2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h2,10,14H,1,3-9H2,(H,12,15)
InChIKeyJJPLDOPRXZXSDL-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.01
Rot. Bonds5

About 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 60642393) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID60642393
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCCC(CO)C1
InChIInChI=1S/C11H20N2O2/c1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h2,10,14H,1,3-9H2,(H,12,15)
InChIKeyJJPLDOPRXZXSDL-UHFFFAOYSA-N
XLogP-0.01
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 60642393) is 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCCC(CO)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is JJPLDOPRXZXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-5-12-11(15)8-13-6-3-4-10(7-13)9-14/h2,10,14H,1,3-9H2,(H,12,15).
What are the key properties of 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 212.29 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 60642393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).