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

C19H28N8O — CID 70770094

IUPAC4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1cc(C)nc(N2CCC(Cn3cc(CN4CCNC(=O)C4)nn3)CC2)n1
InChIInChI=1S/C19H28N8O/c1-14-9-15(2)22-19(21-14)26-6-3-16(4-7-26)10-27-12-17(23-24-27)11-25-8-5-20-18(28)13-25/h9,12,16H,3-8,10-11,13H2,1-2H3,(H,20,28)
InChIKeyWLYLFYGEXRZGSJ-UHFFFAOYSA-N
MW384.49 g/mol
LogP0.53
Rot. Bonds5

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

4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 70770094) has the molecular formula C19H28N8O and a molecular weight of 384.49 g/mol. Its IUPAC name is 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID70770094
Molecular FormulaC19H28N8O
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1cc(C)nc(N2CCC(Cn3cc(CN4CCNC(=O)C4)nn3)CC2)n1
InChIInChI=1S/C19H28N8O/c1-14-9-15(2)22-19(21-14)26-6-3-16(4-7-26)10-27-12-17(23-24-27)11-25-8-5-20-18(28)13-25/h9,12,16H,3-8,10-11,13H2,1-2H3,(H,20,28)
InChIKeyWLYLFYGEXRZGSJ-UHFFFAOYSA-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-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one with MolForge

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Related Compounds

3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]propanamide
CID 137637238
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954786
[(1-{[1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]dimethylamine bis(trifluoroacetate)
CID 45205552
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 46958800
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-isobutyl-1H-1,2,3-triazole-4-carboxamide
CID 56722083
1-(4,6-dimethylpyrimidin-2-yl)-N-(1H-imidazol-2-yl)piperidine-4-carboxamide
CID 71708842
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
1-[4-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95815234
1-[3-[3-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110256218
2-(Methylamino)-1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110269802
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one (CID 70770094) is 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is Cc1cc(C)nc(N2CCC(Cn3cc(CN4CCNC(=O)C4)nn3)CC2)n1.
What is the InChIKey of 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is WLYLFYGEXRZGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N8O/c1-14-9-15(2)22-19(21-14)26-6-3-16(4-7-26)10-27-12-17(23-24-27)11-25-8-5-20-18(28)13-25/h9,12,16H,3-8,10-11,13H2,1-2H3,(H,20,28).
What are the key properties of 4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-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-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 70770094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).