[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

C20H26N4O2 — CID 72848629

IUPAC[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O2/c1-15-21-19(24(22-15)14-16-6-3-2-4-7-16)17-9-11-23(12-10-17)20(25)18-8-5-13-26-18/h2-4,6-7,17-18H,5,8-14H2,1H3
InChIKeyFXUJAVIVXHUHHD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.52
Rot. Bonds4

About [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone

[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 72848629) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID72848629
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O2/c1-15-21-19(24(22-15)14-16-6-3-2-4-7-16)17-9-11-23(12-10-17)20(25)18-8-5-13-26-18/h2-4,6-7,17-18H,5,8-14H2,1H3
InChIKeyFXUJAVIVXHUHHD-UHFFFAOYSA-N
XLogP2.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone with MolForge

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Related Compounds

[4-[5-methyl-2-(2-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 139598744
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302909
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110263682
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
(2S)-N-(1-benzyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 35278282
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085

Frequently Asked Questions

What is the IUPAC name of [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone (CID 72848629) is [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is Cc1nc(C2CCN(C(=O)C3CCCO3)CC2)n(Cc2ccccc2)n1.
What is the InChIKey of [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is FXUJAVIVXHUHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-21-19(24(22-15)14-16-6-3-2-4-7-16)17-9-11-23(12-10-17)20(25)18-8-5-13-26-18/h2-4,6-7,17-18H,5,8-14H2,1H3.
What are the key properties of [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone?
[4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 72848629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).