1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione

C21H21NO3 — CID 15428765

IUPAC1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H21NO3/c23-19(16-7-3-1-4-8-16)15-20(24)17-11-13-22(14-12-17)21(25)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyHGSFAODSLWIKEB-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.38
Rot. Bonds5

About 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione

1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione (PubChem CID 15428765) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione.

Molecular Properties

Compound Name1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
PubChem CID15428765
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione
SMILESO=C(CC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H21NO3/c23-19(16-7-3-1-4-8-16)15-20(24)17-11-13-22(14-12-17)21(25)18-9-5-2-6-10-18/h1-10,17H,11-15H2
InChIKeyHGSFAODSLWIKEB-UHFFFAOYSA-N
XLogP3.38
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.38
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-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-(3-oxo-3-phenylpropanoyl)piperidine-4-carboxylic acid
CID 110465914
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562
1-phenyl-3-piperidin-4-ylpropane-1,3-dione;hydrochloride
CID 21193151
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
1-cyclopropyl-3-(4-phenylphenyl)propane-1,3-dione
CID 63318739
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(Z)-3-(1-benzoylpiperidin-4-yl)-3-phenylprop-2-enoic acid
CID 67133158

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione?
The IUPAC name of 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione (CID 15428765) is 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione.
What is the SMILES notation for 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione?
The canonical SMILES for 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione is O=C(CC(=O)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione?
The InChIKey is HGSFAODSLWIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(16-7-3-1-4-8-16)15-20(24)17-11-13-22(14-12-17)21(25)18-9-5-2-6-10-18/h1-10,17H,11-15H2.
What are the key properties of 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione?
1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione has a molecular weight of 335.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoylpiperidin-4-yl)-3-phenylpropane-1,3-dione is sourced from PubChem (CID 15428765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).