1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide

C17H23N5O2 — CID 119460716

IUPAC1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCC3CCCNC3)c2C)cc1
InChIInChI=1S/C17H23N5O2/c1-12-16(17(23)19-11-13-4-3-9-18-10-13)20-21-22(12)14-5-7-15(24-2)8-6-14/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyIIXIDTUDHAYTAT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.31
Rot. Bonds5

About 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide (PubChem CID 119460716) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
PubChem CID119460716
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCC3CCCNC3)c2C)cc1
InChIInChI=1S/C17H23N5O2/c1-12-16(17(23)19-11-13-4-3-9-18-10-13)20-21-22(12)14-5-7-15(24-2)8-6-14/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,23)
InChIKeyIIXIDTUDHAYTAT-UHFFFAOYSA-N
XLogP1.31
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555823
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119556632
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
1-(4-fluorophenyl)-N-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 86954919
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
1-(4-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl]-5-methyltriazole-4-carboxamide
CID 172906652
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
N-(2-amino-2-methylpropyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 119626658
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide (CID 119460716) is 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)NCC3CCCNC3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
The InChIKey is IIXIDTUDHAYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-16(17(23)19-11-13-4-3-9-18-10-13)20-21-22(12)14-5-7-15(24-2)8-6-14/h5-8,13,18H,3-4,9-11H2,1-2H3,(H,19,23).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 119460716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).