phenyl 2-oxopiperidine-1-carboxylate

C12H13NO3 — CID 10036365

IUPACphenyl 2-oxopiperidine-1-carboxylate
SMILESO=C1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO3/c14-11-8-4-5-9-13(11)12(15)16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyMDYUWPYHPCYXHJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.20
Rot. Bonds1

About phenyl 2-oxopiperidine-1-carboxylate

phenyl 2-oxopiperidine-1-carboxylate (PubChem CID 10036365) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is phenyl 2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-oxopiperidine-1-carboxylate
PubChem CID10036365
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Namephenyl 2-oxopiperidine-1-carboxylate
SMILESO=C1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C12H13NO3/c14-11-8-4-5-9-13(11)12(15)16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyMDYUWPYHPCYXHJ-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
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(4-phenoxyphenyl) pyrrolidine-1-carboxylate
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1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
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phenyl 2-sulfanylideneimidazolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of phenyl 2-oxopiperidine-1-carboxylate?
The IUPAC name of phenyl 2-oxopiperidine-1-carboxylate (CID 10036365) is phenyl 2-oxopiperidine-1-carboxylate.
What is the SMILES notation for phenyl 2-oxopiperidine-1-carboxylate?
The canonical SMILES for phenyl 2-oxopiperidine-1-carboxylate is O=C1CCCCN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl 2-oxopiperidine-1-carboxylate?
The InChIKey is MDYUWPYHPCYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11-8-4-5-9-13(11)12(15)16-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of phenyl 2-oxopiperidine-1-carboxylate?
phenyl 2-oxopiperidine-1-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 10036365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).