3-acetyl-1-phenylpiperidin-4-one

C13H15NO2 — CID 139710705

IUPAC3-acetyl-1-phenylpiperidin-4-one
SMILESCC(=O)C1CN(c2ccccc2)CCC1=O
InChIInChI=1S/C13H15NO2/c1-10(15)12-9-14(8-7-13(12)16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyHLFPWMTXFNDVSS-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds2

About 3-acetyl-1-phenylpiperidin-4-one

3-acetyl-1-phenylpiperidin-4-one (PubChem CID 139710705) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-acetyl-1-phenylpiperidin-4-one.

Molecular Properties

Compound Name3-acetyl-1-phenylpiperidin-4-one
PubChem CID139710705
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-acetyl-1-phenylpiperidin-4-one
SMILESCC(=O)C1CN(c2ccccc2)CCC1=O
InChIInChI=1S/C13H15NO2/c1-10(15)12-9-14(8-7-13(12)16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3
InChIKeyHLFPWMTXFNDVSS-UHFFFAOYSA-N
XLogP1.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 126559698
1-(4-hydroxy-4-methyl-1-phenylpiperidin-3-yl)ethanone
CID 57060479
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
3-acetyl-1-butylpiperidin-4-one
CID 162240163
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
[(3S)-1-phenylpyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;propan-2-one
CID 143211663
1-phenylpyrrolidin-3-ol
CID 11171152
[(3S)-1-phenylpyrrolidin-3-yl]methanol
CID 42258987
1-phenyl-4-(1-phenylpiperidin-4-ylidene)piperidine
CID 15946547
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
3-acetyl-1-benzylazetidin-2-one
CID 13222627
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-phenylpiperidin-4-one?
The IUPAC name of 3-acetyl-1-phenylpiperidin-4-one (CID 139710705) is 3-acetyl-1-phenylpiperidin-4-one.
What is the SMILES notation for 3-acetyl-1-phenylpiperidin-4-one?
The canonical SMILES for 3-acetyl-1-phenylpiperidin-4-one is CC(=O)C1CN(c2ccccc2)CCC1=O.
What is the InChIKey of 3-acetyl-1-phenylpiperidin-4-one?
The InChIKey is HLFPWMTXFNDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10(15)12-9-14(8-7-13(12)16)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3.
What are the key properties of 3-acetyl-1-phenylpiperidin-4-one?
3-acetyl-1-phenylpiperidin-4-one has a molecular weight of 217.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-phenylpiperidin-4-one is sourced from PubChem (CID 139710705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).