3-ethyl-1-(2-phenylacetyl)piperidin-4-one

C15H19NO2 — CID 114508365

IUPAC3-ethyl-1-(2-phenylacetyl)piperidin-4-one
SMILESCCC1CN(C(=O)Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO2/c1-2-13-11-16(9-8-14(13)17)15(18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyFPPNOIFHBCJVOV-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.06
Rot. Bonds3

About 3-ethyl-1-(2-phenylacetyl)piperidin-4-one

3-ethyl-1-(2-phenylacetyl)piperidin-4-one (PubChem CID 114508365) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylacetyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylacetyl)piperidin-4-one
PubChem CID114508365
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-ethyl-1-(2-phenylacetyl)piperidin-4-one
SMILESCCC1CN(C(=O)Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO2/c1-2-13-11-16(9-8-14(13)17)15(18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKeyFPPNOIFHBCJVOV-UHFFFAOYSA-N
XLogP2.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-phenylacetyl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(4-bromophenyl)-1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]ethanone
CID 114509312
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
3-ethyl-1-octanoylpiperidin-4-one
CID 114508255
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
CID 114040137
3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
benzyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 91755235
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylacetyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-phenylacetyl)piperidin-4-one (CID 114508365) is 3-ethyl-1-(2-phenylacetyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-phenylacetyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-phenylacetyl)piperidin-4-one is CCC1CN(C(=O)Cc2ccccc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-phenylacetyl)piperidin-4-one?
The InChIKey is FPPNOIFHBCJVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-13-11-16(9-8-14(13)17)15(18)10-12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3.
What are the key properties of 3-ethyl-1-(2-phenylacetyl)piperidin-4-one?
3-ethyl-1-(2-phenylacetyl)piperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylacetyl)piperidin-4-one is sourced from PubChem (CID 114508365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).