2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C18H28N4O2S — CID 127310250

IUPAC2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1N1CCN2CCCCC2C1)N1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-25(24,22-11-3-1-4-12-22)17-8-6-9-19-18(17)21-14-13-20-10-5-2-7-16(20)15-21/h6,8-9,16H,1-5,7,10-15H2
InChIKeyIVJYJWQOYQBEGB-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 127310250) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID127310250
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESO=S(=O)(c1cccnc1N1CCN2CCCCC2C1)N1CCCCC1
InChIInChI=1S/C18H28N4O2S/c23-25(24,22-11-3-1-4-12-22)17-8-6-9-19-18(17)21-14-13-20-10-5-2-7-16(20)15-21/h6,8-9,16H,1-5,7,10-15H2
InChIKeyIVJYJWQOYQBEGB-UHFFFAOYSA-N
XLogP1.93
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322948
2-[1-(2-chlorophenyl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 46179326
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
CID 22202524
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]-N-methylmethanamine
CID 79925344
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 79918672
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
1-[1-(2-methylsulfonylphenyl)sulfonylpiperidin-3-yl]azepane
CID 86900577
2-quinolin-5-yl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915081
1-(3-methylsulfonyl-2-pyridinyl)azepane
CID 133498194
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-chloropyridine-4-carboxylic acid
CID 107062809
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 127310250) is 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is O=S(=O)(c1cccnc1N1CCN2CCCCC2C1)N1CCCCC1.
What is the InChIKey of 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is IVJYJWQOYQBEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c23-25(24,22-11-3-1-4-12-22)17-8-6-9-19-18(17)21-14-13-20-10-5-2-7-16(20)15-21/h6,8-9,16H,1-5,7,10-15H2.
What are the key properties of 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 364.52 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylsulfonyl-2-pyridinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 127310250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).