methyl 4-oxo-5-piperidin-1-ylpentanoate

C11H19NO3 — CID 566654

IUPACmethyl 4-oxo-5-piperidin-1-ylpentanoate
SMILESCOC(=O)CCC(=O)CN1CCCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)6-5-10(13)9-12-7-3-2-4-8-12/h2-9H2,1H3
InChIKeyQVGNYIFUVCPZCY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.99
Rot. Bonds5

About methyl 4-oxo-5-piperidin-1-ylpentanoate

methyl 4-oxo-5-piperidin-1-ylpentanoate (PubChem CID 566654) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-oxo-5-piperidin-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-oxo-5-piperidin-1-ylpentanoate
PubChem CID566654
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-oxo-5-piperidin-1-ylpentanoate
SMILESCOC(=O)CCC(=O)CN1CCCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)6-5-10(13)9-12-7-3-2-4-8-12/h2-9H2,1H3
InChIKeyQVGNYIFUVCPZCY-UHFFFAOYSA-N
XLogP0.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-5-piperidin-1-ylpentanoate?
The IUPAC name of methyl 4-oxo-5-piperidin-1-ylpentanoate (CID 566654) is methyl 4-oxo-5-piperidin-1-ylpentanoate.
What is the SMILES notation for methyl 4-oxo-5-piperidin-1-ylpentanoate?
The canonical SMILES for methyl 4-oxo-5-piperidin-1-ylpentanoate is COC(=O)CCC(=O)CN1CCCCC1.
What is the InChIKey of methyl 4-oxo-5-piperidin-1-ylpentanoate?
The InChIKey is QVGNYIFUVCPZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)6-5-10(13)9-12-7-3-2-4-8-12/h2-9H2,1H3.
What are the key properties of methyl 4-oxo-5-piperidin-1-ylpentanoate?
methyl 4-oxo-5-piperidin-1-ylpentanoate has a molecular weight of 213.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-5-piperidin-1-ylpentanoate is sourced from PubChem (CID 566654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).