N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C15H24N4O4S — CID 122260395

IUPACN-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCc1cc(OC2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C15H24N4O4S/c1-11-8-14(17-12(2)16-11)23-13-6-5-7-19(9-13)15(20)10-18(3)24(4,21)22/h8,13H,5-7,9-10H2,1-4H3
InChIKeyMOQHWTMOQSTWEO-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.35
Rot. Bonds5

About N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 122260395) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID122260395
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCc1cc(OC2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C15H24N4O4S/c1-11-8-14(17-12(2)16-11)23-13-6-5-7-19(9-13)15(20)10-18(3)24(4,21)22/h8,13H,5-7,9-10H2,1-4H3
InChIKeyMOQHWTMOQSTWEO-UHFFFAOYSA-N
XLogP0.35
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 122161131
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-pyrrol-1-ylethanone
CID 122260410
3-(2,6-dimethylpyrimidin-4-yl)oxy-N,N-diethylpiperidine-1-carboxamide
CID 122260550
N-methyl-N-[2-oxo-2-(3-pyridazin-3-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 91627690
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-phenoxyethanone
CID 122161113
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 122260312
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
2-(4-chlorophenoxy)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260293
2-(benzimidazol-1-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260170
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122260474
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 122260311

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 122260395) is N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is Cc1cc(OC2CCCN(C(=O)CN(C)S(C)(=O)=O)C2)nc(C)n1.
What is the InChIKey of N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is MOQHWTMOQSTWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-11-8-14(17-12(2)16-11)23-13-6-5-7-19(9-13)15(20)10-18(3)24(4,21)22/h8,13H,5-7,9-10H2,1-4H3.
What are the key properties of N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 122260395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).