1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone

C21H26N2O — CID 23294466

IUPAC1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(20-10-6-3-7-11-20)17-21(24)23-14-12-19(13-15-23)16-18-8-4-2-5-9-18/h2-11,19H,12-17H2,1H3
InChIKeyBESBLBYKKWBWEX-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone

1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone (PubChem CID 23294466) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
PubChem CID23294466
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone
SMILESCN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-22(20-10-6-3-7-11-20)17-21(24)23-14-12-19(13-15-23)16-18-8-4-2-5-9-18/h2-11,19H,12-17H2,1H3
InChIKeyBESBLBYKKWBWEX-UHFFFAOYSA-N
XLogP3.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)methanesulfonamide
CID 1143321
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(3,4-difluorophenyl)methanesulfonamide
CID 6500027
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109032445
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
2-[[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729179
1-(3-cyclohexylpyrrolidin-1-yl)-2-(N-methylanilino)ethanone
CID 154783657

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone (CID 23294466) is 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone is CN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone?
The InChIKey is BESBLBYKKWBWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-22(20-10-6-3-7-11-20)17-21(24)23-14-12-19(13-15-23)16-18-8-4-2-5-9-18/h2-11,19H,12-17H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone?
1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone has a molecular weight of 322.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-(N-methylanilino)ethanone is sourced from PubChem (CID 23294466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).