1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide

C20H29N5O2 — CID 27241660

IUPAC1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C)c1
InChIInChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-8-7-9-16(10-15)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)
InChIKeyGJAVTGYTCUCXFZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.62
Rot. Bonds4

About 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide

1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide (PubChem CID 27241660) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
PubChem CID27241660
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide
SMILESCOc1cccc(-n2nnc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C)c1
InChIInChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-8-7-9-16(10-15)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)
InChIKeyGJAVTGYTCUCXFZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide (CID 27241660) is 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide is COc1cccc(-n2nnc(C(=O)NC3CC(C)(C)NC(C)(C)C3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
The InChIKey is GJAVTGYTCUCXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-13-17(22-24-25(13)15-8-7-9-16(10-15)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-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide?
1-(3-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-(3-methoxyphenyl)-5-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)triazole-4-carboxamide is sourced from PubChem (CID 27241660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).