N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide

C18H22N4O4S — CID 110256642

IUPACN-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O4S/c1-27(24,25)20-12-18(23)22-9-5-6-14(13-22)16-10-19-11-17(21-16)26-15-7-3-2-4-8-15/h2-4,7-8,10-11,14,20H,5-6,9,12-13H2,1H3
InChIKeyWEQZJDOTCATOSP-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.52
Rot. Bonds6

About N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide

N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide (PubChem CID 110256642) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
PubChem CID110256642
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1
InChIInChI=1S/C18H22N4O4S/c1-27(24,25)20-12-18(23)22-9-5-6-14(13-22)16-10-19-11-17(21-16)26-15-7-3-2-4-8-15/h2-4,7-8,10-11,14,20H,5-6,9,12-13H2,1H3
InChIKeyWEQZJDOTCATOSP-UHFFFAOYSA-N
XLogP1.52
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516
1-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 110256535
3-morpholin-4-yl-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 110256583
N-methyl-2-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 124972275
N-methyl-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]acetamide
CID 110096056
oxan-4-yl-[(3R)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 95823108
(6-methyl-2-pyridinyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 124990884
N-[2-methyl-1-oxo-1-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 110148762
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
2-amino-1-[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823409

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide (CID 110256642) is N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC(=O)N1CCCC(c2cncc(Oc3ccccc3)n2)C1.
What is the InChIKey of N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide?
The InChIKey is WEQZJDOTCATOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-27(24,25)20-12-18(23)22-9-5-6-14(13-22)16-10-19-11-17(21-16)26-15-7-3-2-4-8-15/h2-4,7-8,10-11,14,20H,5-6,9,12-13H2,1H3.
What are the key properties of N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide?
N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide has a molecular weight of 390.47 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 110256642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).