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

C19H28N8O — CID 30921455

IUPAC4-[[1-[[(3R)-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-/m1/s1
InChIKeyQZNFGGAPLLITLW-MRXNPFEDSA-N
MW384.49 g/mol
LogP0.53
Rot. Bonds5

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

4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 30921455) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID30921455
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name4-[[1-[[(3R)-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-/m1/s1
InChIKeyQZNFGGAPLLITLW-MRXNPFEDSA-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-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

1-(2-aminoethyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 70704743
4-[[1-[[1-(3,6-Dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154885794
[1-[(1-Pyrazin-2-ylpiperidin-4-yl)methyl]triazol-4-yl]methylurea;2,2,2-trifluoroacetic acid
CID 154890115
2,5-dimethyl-3-[4-({1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)-1-piperazinyl]pyrazine
CID 25380262
4-[[1-[[1-(3-Methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30956850
2,5-dimethyl-3-[4-({5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}acetyl)-1-piperazinyl]pyrazine
CID 42394222
4-[(1-{[1-(2-methyl-4-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2-piperazinone bis(trifluoroacetate)
CID 45226981
N-isobutyl-1-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56711595
N-((1-(3-cyanopyrazin-2-yl)piperidin-4-yl)methyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 76145941
N-({1-[1-(3-methyl-2-pyrazinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)urea trifluoroacetate
CID 28133479
N-[(1-{[1-(2-pyrazinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]urea
CID 28784640
4-[[1-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
CID 30921459

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (CID 30921455) is 4-[[1-[[(3R)-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-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[[(3R)-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-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is QZNFGGAPLLITLW-MRXNPFEDSA-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-/m1/s1.
What are the key properties of 4-[[1-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[[(3R)-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-[[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 30921455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).