3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one

C24H28N2O — CID 23768353

IUPAC3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one
SMILESCc1c(CN2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc2n1C
InChIInChI=1S/C24H28N2O/c1-18-22(24(27)21-10-6-7-11-23(21)25(18)2)17-26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20H,12-17H2,1-2H3
InChIKeyNJYGEGUTHBQMFB-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.30
Rot. Bonds4

About 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one

3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one (PubChem CID 23768353) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one.

Molecular Properties

Compound Name3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one
PubChem CID23768353
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one
SMILESCc1c(CN2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc2n1C
InChIInChI=1S/C24H28N2O/c1-18-22(24(27)21-10-6-7-11-23(21)25(18)2)17-26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20H,12-17H2,1-2H3
InChIKeyNJYGEGUTHBQMFB-UHFFFAOYSA-N
XLogP4.30
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-benzyl-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine
CID 52551408
2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
2-[[2-[(1,2-dimethyl-4-oxoquinolin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methyl]indene-1,3-dione
CID 23941051
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080
4-[4-(4-benzylpiperidin-1-yl)-4-oxobutoxy]-1-methylquinolin-2-one
CID 20862035
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one?
The IUPAC name of 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one (CID 23768353) is 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one.
What is the SMILES notation for 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one?
The canonical SMILES for 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one is Cc1c(CN2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc2n1C.
What is the InChIKey of 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one?
The InChIKey is NJYGEGUTHBQMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18-22(24(27)21-10-6-7-11-23(21)25(18)2)17-26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20H,12-17H2,1-2H3.
What are the key properties of 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one?
3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one has a molecular weight of 360.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzylpiperidin-1-yl)methyl]-1,2-dimethylquinolin-4-one is sourced from PubChem (CID 23768353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).