benzyl 2-(4-oxopiperidin-1-yl)acetate

C14H17NO3 — CID 18187989

IUPACbenzyl 2-(4-oxopiperidin-1-yl)acetate
SMILESO=C1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13-6-8-15(9-7-13)10-14(17)18-11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyNZJNMGYKSKNROE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.39
Rot. Bonds4

About benzyl 2-(4-oxopiperidin-1-yl)acetate

benzyl 2-(4-oxopiperidin-1-yl)acetate (PubChem CID 18187989) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is benzyl 2-(4-oxopiperidin-1-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(4-oxopiperidin-1-yl)acetate
PubChem CID18187989
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Namebenzyl 2-(4-oxopiperidin-1-yl)acetate
SMILESO=C1CCN(CC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c16-13-6-8-15(9-7-13)10-14(17)18-11-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyNZJNMGYKSKNROE-UHFFFAOYSA-N
XLogP1.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(4-oxopiperidin-1-yl)acetate?
The IUPAC name of benzyl 2-(4-oxopiperidin-1-yl)acetate (CID 18187989) is benzyl 2-(4-oxopiperidin-1-yl)acetate.
What is the SMILES notation for benzyl 2-(4-oxopiperidin-1-yl)acetate?
The canonical SMILES for benzyl 2-(4-oxopiperidin-1-yl)acetate is O=C1CCN(CC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 2-(4-oxopiperidin-1-yl)acetate?
The InChIKey is NZJNMGYKSKNROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13-6-8-15(9-7-13)10-14(17)18-11-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of benzyl 2-(4-oxopiperidin-1-yl)acetate?
benzyl 2-(4-oxopiperidin-1-yl)acetate has a molecular weight of 247.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(4-oxopiperidin-1-yl)acetate is sourced from PubChem (CID 18187989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).