[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate

C14H18N2O3 — CID 21477553

IUPAC[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCCC(CCc2ccncc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-11(17)19-16-10-2-3-13(14(16)18)5-4-12-6-8-15-9-7-12/h6-9,13H,2-5,10H2,1H3
InChIKeyFUXNQPGCGGXGAE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.73
Rot. Bonds4

About [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate

[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate (PubChem CID 21477553) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate.

Molecular Properties

Compound Name[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate
PubChem CID21477553
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCCC(CCc2ccncc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-11(17)19-16-10-2-3-13(14(16)18)5-4-12-6-8-15-9-7-12/h6-9,13H,2-5,10H2,1H3
InChIKeyFUXNQPGCGGXGAE-UHFFFAOYSA-N
XLogP1.73
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate?
The IUPAC name of [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate (CID 21477553) is [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate.
What is the SMILES notation for [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate?
The canonical SMILES for [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate is CC(=O)ON1CCCC(CCc2ccncc2)C1=O.
What is the InChIKey of [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate?
The InChIKey is FUXNQPGCGGXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)19-16-10-2-3-13(14(16)18)5-4-12-6-8-15-9-7-12/h6-9,13H,2-5,10H2,1H3.
What are the key properties of [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate?
[2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate has a molecular weight of 262.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-3-(2-pyridin-4-ylethyl)piperidin-1-yl] acetate is sourced from PubChem (CID 21477553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).