1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

C17H24ClN5O3 — CID 146064976

IUPAC1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2cn(CC3(O)CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-25-14-4-2-13(3-5-14)10-19-16(23)15-11-22(21-20-15)12-17(24)6-8-18-9-7-17;/h2-5,11,18,24H,6-10,12H2,1H3,(H,19,23);1H
InChIKeyFIZAYSMLIHNUIZ-UHFFFAOYSA-N
MW381.86 g/mol
LogP0.75
Rot. Bonds6

About 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride

1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 146064976) has the molecular formula C17H24ClN5O3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID146064976
Molecular FormulaC17H24ClN5O3
Molecular Weight381.86 g/mol
Exact Mass381.16
IUPAC Name1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2cn(CC3(O)CCNCC3)nn2)cc1.Cl
InChIInChI=1S/C17H23N5O3.ClH/c1-25-14-4-2-13(3-5-14)10-19-16(23)15-11-22(21-20-15)12-17(24)6-8-18-9-7-17;/h2-5,11,18,24H,6-10,12H2,1H3,(H,19,23);1H
InChIKeyFIZAYSMLIHNUIZ-UHFFFAOYSA-N
XLogP0.75
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[(1-ethylpyrazol-4-yl)methyl]-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
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N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
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CID 171144050
1-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 39089231
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N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
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N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119877260
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride (CID 146064976) is 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)c2cn(CC3(O)CCNCC3)nn2)cc1.Cl.
What is the InChIKey of 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is FIZAYSMLIHNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3.ClH/c1-25-14-4-2-13(3-5-14)10-19-16(23)15-11-22(21-20-15)12-17(24)6-8-18-9-7-17;/h2-5,11,18,24H,6-10,12H2,1H3,(H,19,23);1H.
What are the key properties of 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride?
1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 381.86 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxypiperidin-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146064976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).