1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one

C22H25NO2 — CID 51329229

IUPAC1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25NO2/c1-17-6-5-7-18(16-17)10-11-21(24)23-14-12-20(13-15-23)22(25)19-8-3-2-4-9-19/h2-9,16,20H,10-15H2,1H3
InChIKeyQMDYXGHWKYJZQA-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one

1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one (PubChem CID 51329229) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
PubChem CID51329229
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
SMILESCc1cccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H25NO2/c1-17-6-5-7-18(16-17)10-11-21(24)23-14-12-20(13-15-23)22(25)19-8-3-2-4-9-19/h2-9,16,20H,10-15H2,1H3
InChIKeyQMDYXGHWKYJZQA-UHFFFAOYSA-N
XLogP4.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119644243
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110797482
[1-[2-[(3-methylphenyl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24686333
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 25472870
N-[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]ethanesulfonamide
CID 110822627
4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one (CID 51329229) is 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one is Cc1cccc(CCC(=O)N2CCC(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is QMDYXGHWKYJZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-17-6-5-7-18(16-17)10-11-21(24)23-14-12-20(13-15-23)22(25)19-8-3-2-4-9-19/h2-9,16,20H,10-15H2,1H3.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one?
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 51329229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).