3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one

C19H25N5O2 — CID 11210465

IUPAC3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(N3CCCC3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C19H25N5O2/c20-18-19(26)24(14-4-3-7-21-11-14)12-16(22-18)15-10-13(5-6-17(15)25)23-8-1-2-9-23/h5-6,10,12,14,21,25H,1-4,7-9,11H2,(H2,20,22)
InChIKeyLXOMUUBDTOWSCF-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.72
Rot. Bonds3

About 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one

3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one (PubChem CID 11210465) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one
PubChem CID11210465
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(N3CCCC3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C19H25N5O2/c20-18-19(26)24(14-4-3-7-21-11-14)12-16(22-18)15-10-13(5-6-17(15)25)23-8-1-2-9-23/h5-6,10,12,14,21,25H,1-4,7-9,11H2,(H2,20,22)
InChIKeyLXOMUUBDTOWSCF-UHFFFAOYSA-N
XLogP1.72
TPSA96.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one?
The IUPAC name of 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one (CID 11210465) is 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one.
What is the SMILES notation for 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one?
The canonical SMILES for 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one is Nc1nc(-c2cc(N3CCCC3)ccc2O)cn(C2CCCNC2)c1=O.
What is the InChIKey of 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one?
The InChIKey is LXOMUUBDTOWSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-18-19(26)24(14-4-3-7-21-11-14)12-16(22-18)15-10-13(5-6-17(15)25)23-8-1-2-9-23/h5-6,10,12,14,21,25H,1-4,7-9,11H2,(H2,20,22).
What are the key properties of 3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one?
3-amino-5-(2-hydroxy-5-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.72, 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-pyrrolidin-1-ylphenyl)-1-piperidin-3-ylpyrazin-2-one is sourced from PubChem (CID 11210465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).