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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide
CID 16090559
N-[(1S)-1-{1-[(1S)-1-cyanopentyl]-1H-1,2,3-triazol-4-yl}-1-cyclohexylethyl]benzamide
CID 16090561
Phenyl-[4-[4-(4-phenyltriazol-1-yl)butyl]piperidin-1-yl]methanone
CID 45483879
N-hydroxy-5-[1-[(2-methylphenyl)methyl]triazol-4-yl]pentanamide
CID 60151145
({1-[1-(3-fluoro-4-methylbenzoyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)amine trifluoroacetate
CID 29152428
4-fluoro-N-[2-(4-piperidin-3-yl-1H-1,2,3-triazol-1-yl)ethyl]benzamide
CID 72843940
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-prop-2-enyl-4-(trifluoromethyl)benzamide
CID 176434374
(4S)-N-ethyl-4-(4-{1-methyl-1-[(2-methylbenzoyl)amino]ethyl}-1H-1,2,3-triazol-1-yl)-L-prolinamide
CID 56759331
2-{2-[4-(3-piperidinyl)-1H-1,2,3-triazol-1-yl]ethyl}-2,3-dihydro-1,4-phthalazinedione hydrochloride
CID 72875483
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methylbenzamide
CID 102128115
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-2-methyl-6-phenylbenzamide
CID 176434343
N-[2-(1-benzyltriazol-4-yl)propan-2-yl]-4-methylbenzamide
CID 176434346

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).