2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide

C20H29N5O — CID 166326646

IUPAC2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide
SMILESCCC(C)(C)c1cn(Cc2ccccc2C(=O)NN2CCCCC2)nn1
InChIInChI=1S/C20H29N5O/c1-4-20(2,3)18-15-25(23-21-18)14-16-10-6-7-11-17(16)19(26)22-24-12-8-5-9-13-24/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3,(H,22,26)
InChIKeyWHNNTOBSERKXJY-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.14
Rot. Bonds6

About 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide

2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide (PubChem CID 166326646) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide
PubChem CID166326646
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide
SMILESCCC(C)(C)c1cn(Cc2ccccc2C(=O)NN2CCCCC2)nn1
InChIInChI=1S/C20H29N5O/c1-4-20(2,3)18-15-25(23-21-18)14-16-10-6-7-11-17(16)19(26)22-24-12-8-5-9-13-24/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3,(H,22,26)
InChIKeyWHNNTOBSERKXJY-UHFFFAOYSA-N
XLogP3.14
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide?
The IUPAC name of 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide (CID 166326646) is 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide is CCC(C)(C)c1cn(Cc2ccccc2C(=O)NN2CCCCC2)nn1.
What is the InChIKey of 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide?
The InChIKey is WHNNTOBSERKXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-20(2,3)18-15-25(23-21-18)14-16-10-6-7-11-17(16)19(26)22-24-12-8-5-9-13-24/h6-7,10-11,15H,4-5,8-9,12-14H2,1-3H3,(H,22,26).
What are the key properties of 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide?
2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide has a molecular weight of 355.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 166326646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).