3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one

C15H17ClN4O2 — CID 11209424

IUPAC3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cccc(Cl)c2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C15H17ClN4O2/c16-11-5-1-4-10(13(11)21)12-8-20(15(22)14(17)19-12)9-3-2-6-18-7-9/h1,4-5,8-9,18,21H,2-3,6-7H2,(H2,17,19)
InChIKeyLJTHWQCMHFIITF-UHFFFAOYSA-N
MW320.78 g/mol
LogP1.78
Rot. Bonds2

About 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one

3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one (PubChem CID 11209424) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
PubChem CID11209424
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cccc(Cl)c2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C15H17ClN4O2/c16-11-5-1-4-10(13(11)21)12-8-20(15(22)14(17)19-12)9-3-2-6-18-7-9/h1,4-5,8-9,18,21H,2-3,6-7H2,(H2,17,19)
InChIKeyLJTHWQCMHFIITF-UHFFFAOYSA-N
XLogP1.78
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The IUPAC name of 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one (CID 11209424) is 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one.
What is the SMILES notation for 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The canonical SMILES for 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one is Nc1nc(-c2cccc(Cl)c2O)cn(C2CCCNC2)c1=O.
What is the InChIKey of 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
The InChIKey is LJTHWQCMHFIITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c16-11-5-1-4-10(13(11)21)12-8-20(15(22)14(17)19-12)9-3-2-6-18-7-9/h1,4-5,8-9,18,21H,2-3,6-7H2,(H2,17,19).
What are the key properties of 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one?
3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one has a molecular weight of 320.78 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-chloro-2-hydroxyphenyl)-1-piperidin-3-ylpyrazin-2-one is sourced from PubChem (CID 11209424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).