N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide

C16H22N2O3S — CID 71977451

IUPACN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(=Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H22N2O3S/c1-17(22(2,20)21)13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3
InChIKeyVWRWSVCWCKLKCG-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 71977451) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID71977451
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC(=Cc2ccccc2)CC1)S(C)(=O)=O
InChIInChI=1S/C16H22N2O3S/c1-17(22(2,20)21)13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3
InChIKeyVWRWSVCWCKLKCG-UHFFFAOYSA-N
XLogP1.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464642
4-benzylidene-1-methylsulfonylpiperidine
CID 71977085
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 30464624
1-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 71977444
N-methyl-N-[2-oxo-2-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]methanesulfonamide
CID 122341605
2-(4-benzylidenepiperidin-1-yl)-2-oxo-N-phenylacetamide
CID 59864375
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 119372938
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 55615509
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 2941900
4-benzylidene-N'-ethylpiperidine-1-carboximidamide
CID 86814243

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide (CID 71977451) is N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCC(=Cc2ccccc2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is VWRWSVCWCKLKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-17(22(2,20)21)13-16(19)18-10-8-15(9-11-18)12-14-6-4-3-5-7-14/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71977451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).