4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one

C22H27N5O — CID 87054677

IUPAC4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(NCCCN2CCCCC2)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C22H27N5O/c28-22-21(24-11-7-15-26-13-5-2-6-14-26)25-19-10-12-23-16-20(19)27(22)17-18-8-3-1-4-9-18/h1,3-4,8-10,12,16H,2,5-7,11,13-15,17H2,(H,24,25)
InChIKeyYRSHHLKHRLFNBF-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.13
Rot. Bonds7

About 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one

4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one (PubChem CID 87054677) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
PubChem CID87054677
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one
SMILESO=c1c(NCCCN2CCCCC2)nc2ccncc2n1Cc1ccccc1
InChIInChI=1S/C22H27N5O/c28-22-21(24-11-7-15-26-13-5-2-6-14-26)25-19-10-12-23-16-20(19)27(22)17-18-8-3-1-4-9-18/h1,3-4,8-10,12,16H,2,5-7,11,13-15,17H2,(H,24,25)
InChIKeyYRSHHLKHRLFNBF-UHFFFAOYSA-N
XLogP3.13
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one (CID 87054677) is 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one is O=c1c(NCCCN2CCCCC2)nc2ccncc2n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is YRSHHLKHRLFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c28-22-21(24-11-7-15-26-13-5-2-6-14-26)25-19-10-12-23-16-20(19)27(22)17-18-8-3-1-4-9-18/h1,3-4,8-10,12,16H,2,5-7,11,13-15,17H2,(H,24,25).
What are the key properties of 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one?
4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(3-piperidin-1-ylpropylamino)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 87054677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).