3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one

C19H19NO3 — CID 166437081

IUPAC3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2CCCC(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-23-16-11-9-15(10-12-16)20-13-5-8-17(19(20)22)18(21)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyXZXYTRQNUKTKPZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.32
Rot. Bonds4

About 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one

3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one (PubChem CID 166437081) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
PubChem CID166437081
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(N2CCCC(C(=O)c3ccccc3)C2=O)cc1
InChIInChI=1S/C19H19NO3/c1-23-16-11-9-15(10-12-16)20-13-5-8-17(19(20)22)18(21)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKeyXZXYTRQNUKTKPZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.32
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

(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
4-methoxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95234404
(3aR,4S,8aS,8bR)-4-(4-chlorobenzoyl)-2-(4-methoxyphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 51458905
N-tert-butyl-1-(4-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 42863344
(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
2-(4-methoxyphenyl)-4-(4-methylbenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 4870097
(3aR,4S,8aR,8bR)-4-(4-methoxybenzoyl)-2-(4-methylphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 6357284
4-(4-fluorobenzoyl)-2-(4-methoxyphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 4912275
(3aR,4S,8aS,8bS)-4-(4-fluorobenzoyl)-2-(4-methoxyphenyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 11909725
[(5R,6R,7S)-5-(4-methoxyphenyl)-7-phenyl-1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazol-6-yl]-phenylmethanone
CID 164685632
(3R,4R)-4-benzoyl-1-(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101178816
(3aS,4S,8aR,8bR)-4-(4-methoxybenzoyl)-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione
CID 132961847

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one?
The IUPAC name of 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one (CID 166437081) is 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one is COc1ccc(N2CCCC(C(=O)c3ccccc3)C2=O)cc1.
What is the InChIKey of 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one?
The InChIKey is XZXYTRQNUKTKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-23-16-11-9-15(10-12-16)20-13-5-8-17(19(20)22)18(21)14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3.
What are the key properties of 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one?
3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-(4-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 166437081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).