6-(2-ethylbenzoyl)piperidin-2-one

C14H17NO2 — CID 54106126

IUPAC6-(2-ethylbenzoyl)piperidin-2-one
SMILESCCc1ccccc1C(=O)C1CCCC(=O)N1
InChIInChI=1S/C14H17NO2/c1-2-10-6-3-4-7-11(10)14(17)12-8-5-9-13(16)15-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyNDWWZFSWBAXSGW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds3

About 6-(2-ethylbenzoyl)piperidin-2-one

6-(2-ethylbenzoyl)piperidin-2-one (PubChem CID 54106126) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(2-ethylbenzoyl)piperidin-2-one.

Molecular Properties

Compound Name6-(2-ethylbenzoyl)piperidin-2-one
PubChem CID54106126
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name6-(2-ethylbenzoyl)piperidin-2-one
SMILESCCc1ccccc1C(=O)C1CCCC(=O)N1
InChIInChI=1S/C14H17NO2/c1-2-10-6-3-4-7-11(10)14(17)12-8-5-9-13(16)15-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16)
InChIKeyNDWWZFSWBAXSGW-UHFFFAOYSA-N
XLogP2.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-propoxybenzoyl)piperidin-2-one
CID 54196538
7-benzoylazepan-2-one
CID 70255305
6-(4-butoxybenzoyl)piperidin-2-one
CID 54128984
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
(2R)-N-[4-[(2-methylbenzoyl)amino]cyclohexyl]-6-oxopiperidine-2-carboxamide
CID 146147876
(2-ethylphenyl)-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944562
(4-oxocyclohexyl) 2-ethylbenzoate
CID 174637503
(1,1-dioxothiolan-3-yl)-(2-ethylphenyl)methanone
CID 62390362
bis(2-ethylbenzoate);lead(2+)
CID 101297382
barium(2+);bis(2-ethylbenzoate)
CID 101299927
(5S)-5-(2-ethylphenyl)pyrrolidin-2-one
CID 130615199

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylbenzoyl)piperidin-2-one?
The IUPAC name of 6-(2-ethylbenzoyl)piperidin-2-one (CID 54106126) is 6-(2-ethylbenzoyl)piperidin-2-one.
What is the SMILES notation for 6-(2-ethylbenzoyl)piperidin-2-one?
The canonical SMILES for 6-(2-ethylbenzoyl)piperidin-2-one is CCc1ccccc1C(=O)C1CCCC(=O)N1.
What is the InChIKey of 6-(2-ethylbenzoyl)piperidin-2-one?
The InChIKey is NDWWZFSWBAXSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-10-6-3-4-7-11(10)14(17)12-8-5-9-13(16)15-12/h3-4,6-7,12H,2,5,8-9H2,1H3,(H,15,16).
What are the key properties of 6-(2-ethylbenzoyl)piperidin-2-one?
6-(2-ethylbenzoyl)piperidin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylbenzoyl)piperidin-2-one is sourced from PubChem (CID 54106126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).