4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

C18H26N8O — CID 30956850

IUPAC4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1nccnc1N1CCC(Cn2cc(CN3CCNC(=O)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c1-14-18(21-5-4-19-14)25-7-2-15(3-8-25)10-26-12-16(22-23-26)11-24-9-6-20-17(27)13-24/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,27)
InChIKeyNGLBZYFOTPXPDJ-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.22
Rot. Bonds5

About 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one

4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 30956850) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID30956850
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC Name4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1nccnc1N1CCC(Cn2cc(CN3CCNC(=O)C3)nn2)CC1
InChIInChI=1S/C18H26N8O/c1-14-18(21-5-4-19-14)25-7-2-15(3-8-25)10-26-12-16(22-23-26)11-24-9-6-20-17(27)13-24/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,27)
InChIKeyNGLBZYFOTPXPDJ-UHFFFAOYSA-N
XLogP0.22
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-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
8-[6-(2,2-Difluoroethylamino)-5-methanimidoylpyrazin-2-yl]-2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 176613632
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
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
1-[4-[[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 118965326
3-[(1-Methylpyrazol-4-yl)amino]-5-[3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 154680926
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(piperidine-4-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
CID 155060273

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (CID 30956850) is 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is Cc1nccnc1N1CCC(Cn2cc(CN3CCNC(=O)C3)nn2)CC1.
What is the InChIKey of 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is NGLBZYFOTPXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-14-18(21-5-4-19-14)25-7-2-15(3-8-25)10-26-12-16(22-23-26)11-24-9-6-20-17(27)13-24/h4-5,12,15H,2-3,6-11,13H2,1H3,(H,20,27).
What are the key properties of 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 370.46 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 30956850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).