3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one

C16H21NO2 — CID 114509764

IUPAC3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
SMILESCCC1CN(CC(=O)Cc2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO2/c1-2-14-11-17(9-8-16(14)19)12-15(18)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeySGSJQGPLOMLWNB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds5

About 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one

3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one (PubChem CID 114509764) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
PubChem CID114509764
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
SMILESCCC1CN(CC(=O)Cc2ccccc2)CCC1=O
InChIInChI=1S/C16H21NO2/c1-2-14-11-17(9-8-16(14)19)12-15(18)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeySGSJQGPLOMLWNB-UHFFFAOYSA-N
XLogP2.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
3-ethyl-1-(2-oxopentyl)piperidin-4-one
CID 114509766
methyl 2-(3-ethyl-4-oxopiperidin-1-yl)acetate
CID 114509007
N-ethyl-2-(3-ethyl-4-oxopiperidin-1-yl)-N-methylacetamide
CID 114508729
1-[(3-bromophenyl)methyl]-3-ethylpiperidin-4-one
CID 114508762
3-ethyl-1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-one
CID 114509037
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-one
CID 62063106
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 81102981
1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-2-one
CID 62777093

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one (CID 114509764) is 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one is CCC1CN(CC(=O)Cc2ccccc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one?
The InChIKey is SGSJQGPLOMLWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-14-11-17(9-8-16(14)19)12-15(18)10-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one?
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one has a molecular weight of 259.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one is sourced from PubChem (CID 114509764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).