benzyl 4-oxopiperidine-1-carboxylate

C13H15NO3 — CID 643496

IUPACbenzyl 4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVZOVOHRDLOYBJX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds2

About benzyl 4-oxopiperidine-1-carboxylate

benzyl 4-oxopiperidine-1-carboxylate (PubChem CID 643496) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl 4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxopiperidine-1-carboxylate
PubChem CID643496
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl 4-oxopiperidine-1-carboxylate
SMILESO=C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyVZOVOHRDLOYBJX-UHFFFAOYSA-N
XLogP1.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 4-oxopiperidine-1-carboxylate (CID 643496) is benzyl 4-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-oxopiperidine-1-carboxylate is O=C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-oxopiperidine-1-carboxylate?
The InChIKey is VZOVOHRDLOYBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of benzyl 4-oxopiperidine-1-carboxylate?
benzyl 4-oxopiperidine-1-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 643496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).