N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

C16H24N2O4S — CID 51083128

IUPACN-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1ccccc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-22-12-14-7-3-4-8-15(14)16(19)18-9-5-6-13(11-18)10-17-23(2,20)21/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyRHFUWOSTKGPLCN-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.23
Rot. Bonds6

About N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 51083128) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID51083128
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1ccccc1C(=O)N1CCCC(CNS(C)(=O)=O)C1
InChIInChI=1S/C16H24N2O4S/c1-22-12-14-7-3-4-8-15(14)16(19)18-9-5-6-13(11-18)10-17-23(2,20)21/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3
InChIKeyRHFUWOSTKGPLCN-UHFFFAOYSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-(2-bromobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 51889560
N-[[1-(2-phenoxybenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47029623
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55665868
[2-(methoxymethyl)phenyl]-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94816596
[3-(methylaminomethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119396946
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
N-[[(3S)-1-(2-phenylmethoxyacetyl)piperidin-3-yl]methyl]methanesulfonamide
CID 94029580
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
[3-(hydroxymethyl)piperidin-1-yl]-[2-(phenoxymethyl)phenyl]methanone
CID 110886871
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide (CID 51083128) is N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is COCc1ccccc1C(=O)N1CCCC(CNS(C)(=O)=O)C1.
What is the InChIKey of N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is RHFUWOSTKGPLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-12-14-7-3-4-8-15(14)16(19)18-9-5-6-13(11-18)10-17-23(2,20)21/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(methoxymethyl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 51083128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).