1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one

C20H25N5OS — CID 133390053

IUPAC1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCN(c2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5OS/c26-20-22-9-4-10-25(20)17-7-11-24(12-8-17)18-13-21-14-19(23-18)27-15-16-5-2-1-3-6-16/h1-3,5-6,13-14,17H,4,7-12,15H2,(H,22,26)
InChIKeyYLYSAVMKOFXGIL-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.15
Rot. Bonds5

About 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one

1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 133390053) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID133390053
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCN(c2cncc(SCc3ccccc3)n2)CC1
InChIInChI=1S/C20H25N5OS/c26-20-22-9-4-10-25(20)17-7-11-24(12-8-17)18-13-21-14-19(23-18)27-15-16-5-2-1-3-6-16/h1-3,5-6,13-14,17H,4,7-12,15H2,(H,22,26)
InChIKeyYLYSAVMKOFXGIL-UHFFFAOYSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2,2,2-trifluoroethanol
CID 133390013
2-benzylsulfanyl-6-(4-methoxypiperidin-1-yl)pyrazine
CID 133413751
2-benzylsulfanyl-6-[4-(triazol-1-ylmethyl)piperidin-1-yl]pyrazine
CID 133390082
2-benzylsulfanyl-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133413581
1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
N-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133389237
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]benzonitrile
CID 133389483
2-benzylsulfanyl-6-[2-(furan-2-yl)pyrrolidin-1-yl]pyrazine
CID 133389717
4-(6-benzylsulfanylpyrazin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479425
2-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-5-methyl-4,5-dihydro-1,3-thiazole
CID 133389821
5-[4-(6-benzylsulfanylpyrazin-2-yl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133389858
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one (CID 133390053) is 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one is O=C1NCCCN1C1CCN(c2cncc(SCc3ccccc3)n2)CC1.
What is the InChIKey of 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is YLYSAVMKOFXGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c26-20-22-9-4-10-25(20)17-7-11-24(12-8-17)18-13-21-14-19(23-18)27-15-16-5-2-1-3-6-16/h1-3,5-6,13-14,17H,4,7-12,15H2,(H,22,26).
What are the key properties of 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 383.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-benzylsulfanylpyrazin-2-yl)piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 133390053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).