1-[3-(3-methylphenyl)propanoyl]piperidin-4-one

C15H19NO2 — CID 55024615

IUPAC1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
SMILESCc1cccc(CCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO2/c1-12-3-2-4-13(11-12)5-6-15(18)16-9-7-14(17)8-10-16/h2-4,11H,5-10H2,1H3
InChIKeyNWESNPIHATWBHN-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.12
Rot. Bonds3

About 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one

1-[3-(3-methylphenyl)propanoyl]piperidin-4-one (PubChem CID 55024615) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
PubChem CID55024615
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
SMILESCc1cccc(CCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO2/c1-12-3-2-4-13(11-12)5-6-15(18)16-9-7-14(17)8-10-16/h2-4,11H,5-10H2,1H3
InChIKeyNWESNPIHATWBHN-UHFFFAOYSA-N
XLogP2.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[3-(3-methylphenyl)propanoyl]piperidine-4-carboxylic acid
CID 63123391
3-methyl-1-[4-[3-(3-methylphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110817715
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
3,3-dimethyl-1-[4-[3-(3-methylphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110799442
N-tert-butyl-4-[3-(3-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810943
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
3-(3-methylphenyl)-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535684
7-(3-methylphenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155528442
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 103727453
1-[4-(1-cyclopropylethyl)piperazin-1-yl]-3-(3-methylphenyl)propan-1-one
CID 110708807
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
3-(4-fluorophenyl)-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110666027

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one?
The IUPAC name of 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one (CID 55024615) is 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one is Cc1cccc(CCC(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one?
The InChIKey is NWESNPIHATWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12-3-2-4-13(11-12)5-6-15(18)16-9-7-14(17)8-10-16/h2-4,11H,5-10H2,1H3.
What are the key properties of 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one?
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one has a molecular weight of 245.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenyl)propanoyl]piperidin-4-one is sourced from PubChem (CID 55024615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).