4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

C19H28N8O — CID 30921459

IUPAC4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1cnc(C)c(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1
InChIInChI=1S/C19H28N8O/c1-14-8-21-15(2)19(22-14)26-6-3-4-16(9-26)10-27-12-17(23-24-27)11-25-7-5-20-18(28)13-25/h8,12,16H,3-7,9-11,13H2,1-2H3,(H,20,28)/t16-/m0/s1
InChIKeyQZNFGGAPLLITLW-INIZCTEOSA-N
MW384.49 g/mol
LogP0.53
Rot. Bonds5

About 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 30921459) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID30921459
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1cnc(C)c(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1
InChIInChI=1S/C19H28N8O/c1-14-8-21-15(2)19(22-14)26-6-3-4-16(9-26)10-27-12-17(23-24-27)11-25-7-5-20-18(28)13-25/h8,12,16H,3-7,9-11,13H2,1-2H3,(H,20,28)/t16-/m0/s1
InChIKeyQZNFGGAPLLITLW-INIZCTEOSA-N
XLogP0.53
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (CID 30921459) is 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is Cc1cnc(C)c(N2CCC[C@H](Cn3cc(CN4CCNC(=O)C4)nn3)C2)n1.
What is the InChIKey of 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is QZNFGGAPLLITLW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N8O/c1-14-8-21-15(2)19(22-14)26-6-3-4-16(9-26)10-27-12-17(23-24-27)11-25-7-5-20-18(28)13-25/h8,12,16H,3-7,9-11,13H2,1-2H3,(H,20,28)/t16-/m0/s1.
What are the key properties of 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 384.49 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 30921459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).