1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one

C17H23NO2 — CID 67096752

IUPAC1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one
SMILESCC(=O)CCC1(C)CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C17H23NO2/c1-14(19)8-10-17(2)13-18(11-9-16(17)20)12-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3
InChIKeyZNUMCHSATRUUIJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds5

About 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one

1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one (PubChem CID 67096752) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one
PubChem CID67096752
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one
SMILESCC(=O)CCC1(C)CN(Cc2ccccc2)CCC1=O
InChIInChI=1S/C17H23NO2/c1-14(19)8-10-17(2)13-18(11-9-16(17)20)12-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3
InChIKeyZNUMCHSATRUUIJ-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-oxo-3-(3-oxobutyl)piperidine-3-carboxylic acid
CID 100959474
1-benzyl-3,3-dimethylpiperidin-4-one;1-benzylpiperidin-4-one
CID 159724836
1-benzyl-3,3-dimethoxypiperidin-4-one
CID 66780961
1-benzyl-3,3-difluoropiperidin-4-one;hydrate
CID 138393770
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
1-benzyl-4-ethyl-4-methylpyrrolidin-3-one
CID 71175395
1-benzyl-3,3-bis(prop-2-enyl)piperidin-4-one
CID 69094065
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
2-benzyl-8a-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-one
CID 23366884
CID 21041169
CID 21041169
ethyl 1-benzyl-3-methyl-4-methylidenepiperidine-3-carboxylate
CID 135019118
magnesium;1-benzyl-3-methylpyrrolidin-3-ol;1-benzylpyrrolidin-3-one;carbanide;bromide
CID 158554768

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one?
The IUPAC name of 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one (CID 67096752) is 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one.
What is the SMILES notation for 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one?
The canonical SMILES for 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one is CC(=O)CCC1(C)CN(Cc2ccccc2)CCC1=O.
What is the InChIKey of 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one?
The InChIKey is ZNUMCHSATRUUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(19)8-10-17(2)13-18(11-9-16(17)20)12-15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one?
1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one has a molecular weight of 273.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-3-(3-oxobutyl)piperidin-4-one is sourced from PubChem (CID 67096752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).