1-benzoyl-3-ethylpiperidin-4-one

C14H17NO2 — CID 114508143

IUPAC1-benzoyl-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO2/c1-2-11-10-15(9-8-13(11)16)14(17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyGVFLNJBBTJLNFM-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds2

About 1-benzoyl-3-ethylpiperidin-4-one

1-benzoyl-3-ethylpiperidin-4-one (PubChem CID 114508143) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-benzoyl-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-benzoyl-3-ethylpiperidin-4-one
PubChem CID114508143
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-benzoyl-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)c2ccccc2)CCC1=O
InChIInChI=1S/C14H17NO2/c1-2-11-10-15(9-8-13(11)16)14(17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyGVFLNJBBTJLNFM-UHFFFAOYSA-N
XLogP2.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 114508192
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
1-(2-bromo-4-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 107987877
(4-bromophenyl)-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]methanone
CID 114509319
1-(1,5-dimethylpyrazole-3-carbonyl)-3-ethylpiperidin-4-one
CID 114218977
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
CID 114508168

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3-ethylpiperidin-4-one?
The IUPAC name of 1-benzoyl-3-ethylpiperidin-4-one (CID 114508143) is 1-benzoyl-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-benzoyl-3-ethylpiperidin-4-one?
The canonical SMILES for 1-benzoyl-3-ethylpiperidin-4-one is CCC1CN(C(=O)c2ccccc2)CCC1=O.
What is the InChIKey of 1-benzoyl-3-ethylpiperidin-4-one?
The InChIKey is GVFLNJBBTJLNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-11-10-15(9-8-13(11)16)14(17)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of 1-benzoyl-3-ethylpiperidin-4-one?
1-benzoyl-3-ethylpiperidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3-ethylpiperidin-4-one is sourced from PubChem (CID 114508143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).