5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one

C20H24N6O2 — CID 56710639

IUPAC5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCn1nc(CC2CCN(C(=O)Cn3ccnc3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H24N6O2/c1-23-20(28)26(17-5-3-2-4-6-17)18(22-23)13-16-7-10-25(11-8-16)19(27)14-24-12-9-21-15-24/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3
InChIKeyANIJBQSLUZBPJO-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.25
Rot. Bonds5

About 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one

5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one (PubChem CID 56710639) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
PubChem CID56710639
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCn1nc(CC2CCN(C(=O)Cn3ccnc3)CC2)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H24N6O2/c1-23-20(28)26(17-5-3-2-4-6-17)18(22-23)13-16-7-10-25(11-8-16)19(27)14-24-12-9-21-15-24/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3
InChIKeyANIJBQSLUZBPJO-UHFFFAOYSA-N
XLogP1.25
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
2-methyl-5-[[1-[2-[(1R)-2-oxocyclopentyl]acetyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 95217436
6-[4-[(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56714638
5-[[1-[(2R)-2-methoxybutanoyl]piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 95201589
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
2-methyl-5-[[1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56711505
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
2-methyl-5-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]-4-phenyl-1,2,4-triazol-3-one
CID 56719785
1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone
CID 92575888
1-[(4S)-4-[[5-(dimethylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-imidazol-1-ylethanone
CID 124949477
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
1-[(3R,3aS,4R,8aS)-4-hydroxy-1-methyl-3-phenyl-2,3,3a,4,5,6,8,8a-octahydropyrrolo[2,3-c]azepin-7-yl]-2-imidazol-1-ylethanone
CID 110143096

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one (CID 56710639) is 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one is Cn1nc(CC2CCN(C(=O)Cn3ccnc3)CC2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is ANIJBQSLUZBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-23-20(28)26(17-5-3-2-4-6-17)18(22-23)13-16-7-10-25(11-8-16)19(27)14-24-12-9-21-15-24/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3.
What are the key properties of 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one?
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 380.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56710639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).