3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one

C19H24N4O2S — CID 11152975

IUPAC3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(C3CCCS3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C19H24N4O2S/c20-18-19(25)23(13-3-1-7-21-10-13)11-15(22-18)14-9-12(5-6-16(14)24)17-4-2-8-26-17/h5-6,9,11,13,17,21,24H,1-4,7-8,10H2,(H2,20,22)
InChIKeyZMVBQQVNTSCTPF-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one

3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one (PubChem CID 11152975) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
PubChem CID11152975
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(C3CCCS3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C19H24N4O2S/c20-18-19(25)23(13-3-1-7-21-10-13)11-15(22-18)14-9-12(5-6-16(14)24)17-4-2-8-26-17/h5-6,9,11,13,17,21,24H,1-4,7-8,10H2,(H2,20,22)
InChIKeyZMVBQQVNTSCTPF-UHFFFAOYSA-N
XLogP2.69
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The IUPAC name of 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one (CID 11152975) is 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one.
What is the SMILES notation for 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The canonical SMILES for 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one is Nc1nc(-c2cc(C3CCCS3)ccc2O)cn(C2CCCNC2)c1=O.
What is the InChIKey of 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The InChIKey is ZMVBQQVNTSCTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c20-18-19(25)23(13-3-1-7-21-10-13)11-15(22-18)14-9-12(5-6-16(14)24)17-4-2-8-26-17/h5-6,9,11,13,17,21,24H,1-4,7-8,10H2,(H2,20,22).
What are the key properties of 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one has a molecular weight of 372.49 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-hydroxy-5-(thiolan-2-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one is sourced from PubChem (CID 11152975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).