2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide

C10H16N2O3 — CID 139015440

IUPAC2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide
SMILESC=CC(=O)N1CCCC(O)(CC(N)=O)C1
InChIInChI=1S/C10H16N2O3/c1-2-9(14)12-5-3-4-10(15,7-12)6-8(11)13/h2,15H,1,3-7H2,(H2,11,13)
InChIKeyHOXWUFKTHGFLBO-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.60
Rot. Bonds3

About 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide

2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide (PubChem CID 139015440) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide
PubChem CID139015440
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide
SMILESC=CC(=O)N1CCCC(O)(CC(N)=O)C1
InChIInChI=1S/C10H16N2O3/c1-2-9(14)12-5-3-4-10(15,7-12)6-8(11)13/h2,15H,1,3-7H2,(H2,11,13)
InChIKeyHOXWUFKTHGFLBO-UHFFFAOYSA-N
XLogP-0.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide (CID 139015440) is 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide is C=CC(=O)N1CCCC(O)(CC(N)=O)C1.
What is the InChIKey of 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide?
The InChIKey is HOXWUFKTHGFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-9(14)12-5-3-4-10(15,7-12)6-8(11)13/h2,15H,1,3-7H2,(H2,11,13).
What are the key properties of 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide?
2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-prop-2-enoylpiperidin-3-yl)acetamide is sourced from PubChem (CID 139015440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).