1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide

C20H29N5O2 — CID 27243357

IUPAC1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-9-7-8-10-16(15)27-6)18(26)21-14-11-19(2,3)23-20(4,5)12-14/h7-10,14,23H,11-12H2,1-6H3,(H,21,26)
InChIKeySVWSNRDTCQAANG-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.62
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide

1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 27243357) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID27243357
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
SMILESCOc1ccccc1-n1nnc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-9-7-8-10-16(15)27-6)18(26)21-14-11-19(2,3)23-20(4,5)12-14/h7-10,14,23H,11-12H2,1-6H3,(H,21,26)
InChIKeySVWSNRDTCQAANG-UHFFFAOYSA-N
XLogP2.62
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridazine-3-carboxamide
CID 108785284
1-(2-methoxyphenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)triazole-4-carboxamide
CID 6493801
1-(5-chloro-2-methoxyphenyl)-N-cycloheptyl-5-methyltriazole-4-carboxamide
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N-(3-chlorophenyl)-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
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N-[3-[(1R)-1-hydroxyethyl]phenyl]-1-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 27261932
1-(2-methoxyphenyl)-5-methyl-N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]triazole-4-carboxamide
CID 51950141
(2-fluorophenyl)methyl 1-(2-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 27374997
N-(2-methoxyphenyl)-5-methyl-1-(2-phenylselanylphenyl)triazole-4-carboxamide
CID 102341170
2,4,5-trimethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1089289
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 6493760
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide;hydrochloride
CID 126477708
1-(2-methoxyphenyl)-5-methyl-N-[(2-phenoxy-4-pyridinyl)methyl]triazole-4-carboxamide
CID 47036917

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide (CID 27243357) is 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide is COc1ccccc1-n1nnc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1C.
What is the InChIKey of 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is SVWSNRDTCQAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-9-7-8-10-16(15)27-6)18(26)21-14-11-19(2,3)23-20(4,5)12-14/h7-10,14,23H,11-12H2,1-6H3,(H,21,26).
What are the key properties of 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 27243357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).