N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide

C13H20N4O4S — CID 121162017

IUPACN-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCC(Oc2ccncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O4S/c1-16(22(2,19)20)9-13(18)17-7-4-11(5-8-17)21-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyALBVRZIQEZAMDB-UHFFFAOYSA-N
MW328.39 g/mol
LogP-0.26
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide

N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 121162017) has the molecular formula C13H20N4O4S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID121162017
Molecular FormulaC13H20N4O4S
Molecular Weight328.39 g/mol
Exact Mass328.12
IUPAC NameN-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
SMILESCN(CC(=O)N1CCC(Oc2ccncn2)CC1)S(C)(=O)=O
InChIInChI=1S/C13H20N4O4S/c1-16(22(2,19)20)9-13(18)17-7-4-11(5-8-17)21-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3
InChIKeyALBVRZIQEZAMDB-UHFFFAOYSA-N
XLogP-0.26
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 90559659
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
(4-tert-butylphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161842
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide (CID 121162017) is N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide is CN(CC(=O)N1CCC(Oc2ccncn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is ALBVRZIQEZAMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4S/c1-16(22(2,19)20)9-13(18)17-7-4-11(5-8-17)21-12-3-6-14-10-15-12/h3,6,10-11H,4-5,7-9H2,1-2H3.
What are the key properties of N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide?
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 328.39 g/mol, XLogP of -0.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 121162017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).