ethyl 2-(3-acetylpiperidin-1-yl)acetate

C11H19NO3 — CID 63853304

IUPACethyl 2-(3-acetylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h10H,3-8H2,1-2H3
InChIKeySQNMDBPHNQAXQC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds4

About ethyl 2-(3-acetylpiperidin-1-yl)acetate

ethyl 2-(3-acetylpiperidin-1-yl)acetate (PubChem CID 63853304) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-(3-acetylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-acetylpiperidin-1-yl)acetate
PubChem CID63853304
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-(3-acetylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1CCCC(C(C)=O)C1
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h10H,3-8H2,1-2H3
InChIKeySQNMDBPHNQAXQC-UHFFFAOYSA-N
XLogP0.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-acetylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-acetylpiperidin-1-yl)acetate (CID 63853304) is ethyl 2-(3-acetylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-acetylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-acetylpiperidin-1-yl)acetate is CCOC(=O)CN1CCCC(C(C)=O)C1.
What is the InChIKey of ethyl 2-(3-acetylpiperidin-1-yl)acetate?
The InChIKey is SQNMDBPHNQAXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(14)8-12-6-4-5-10(7-12)9(2)13/h10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(3-acetylpiperidin-1-yl)acetate?
ethyl 2-(3-acetylpiperidin-1-yl)acetate has a molecular weight of 213.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-acetylpiperidin-1-yl)acetate is sourced from PubChem (CID 63853304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).