1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione

C13H13NO3 — CID 14228168

IUPAC1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1=O)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-11-8-4-5-9-14(11)13(17)12(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJBEBXGNJLRVNCV-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.41
Rot. Bonds2

About 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione

1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione (PubChem CID 14228168) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
PubChem CID14228168
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCCCC1=O)c1ccccc1
InChIInChI=1S/C13H13NO3/c15-11-8-4-5-9-14(11)13(17)12(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyJBEBXGNJLRVNCV-UHFFFAOYSA-N
XLogP1.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
1-(pyridine-3-carbonyl)piperidin-2-one
CID 18935202
1-[(2Z)-3-oxo-3-phenyl-2-(phenylhydrazinylidene)propyl]piperidin-2-one
CID 101141559
1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
CID 13001699
1-(2-methylbenzoyl)azepan-2-one
CID 175288999
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-[4-[(2-chlorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]-2-phenylethane-1,2-dione
CID 26317434
methyl (E)-3-(2-oxopyrrolidin-1-yl)-3-phenylprop-2-enoate
CID 139041263
1-(3,3-dideuterio-4-phenylbutanoyl)piperidin-2-one
CID 101320219
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
4-(2-oxoazepane-1-carbonyl)benzoyl chloride
CID 71445417

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione?
The IUPAC name of 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione (CID 14228168) is 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione?
The canonical SMILES for 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione is O=C(C(=O)N1CCCCC1=O)c1ccccc1.
What is the InChIKey of 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione?
The InChIKey is JBEBXGNJLRVNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-11-8-4-5-9-14(11)13(17)12(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione?
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione has a molecular weight of 231.25 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione is sourced from PubChem (CID 14228168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).