N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H23N5O2S — CID 119815742

IUPACN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)c3cn(C4CCNCC4)nn3)s2)cc1
InChIInChI=1S/C20H23N5O2S/c1-27-16-4-2-14(3-5-16)19-7-6-17(28-19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15/h2-7,13,15,21H,8-12H2,1H3,(H,22,26)
InChIKeyYRELAILQLULPPP-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.87
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119815742) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119815742
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCOc1ccc(-c2ccc(CNC(=O)c3cn(C4CCNCC4)nn3)s2)cc1
InChIInChI=1S/C20H23N5O2S/c1-27-16-4-2-14(3-5-16)19-7-6-17(28-19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15/h2-7,13,15,21H,8-12H2,1H3,(H,22,26)
InChIKeyYRELAILQLULPPP-UHFFFAOYSA-N
XLogP2.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazine-2-carboxylic acid [benzylcarbamoyl-(4-methoxy-phenyl)-methyl]-thiophen-2-ylmethyl-amide
CID 3188485
methyl 1-[(3S,5S)-5-[(4-methoxyphenyl)methylcarbamoyl]-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]triazole-4-carboxylate
CID 45227333
US10344025, Example 521
CID 118640387
US10344025, Example 504
CID 118640459
US10344025, Example 561
CID 118646299
US10344025, Example 522
CID 118646323
US10344025, Example 555
CID 118646609
US10344025, Example 562
CID 118646647
1-(4-methoxybenzyl)-N-{[1-(2-phenylethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazole-4-carboxamide
CID 26317306
2-[4-(1-benzothiophen-3-ylmethyl)triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 90666544
N-(2-amino-5-thiophen-3-ylphenyl)-1-[2-(4-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 172440571
N-(2-amino-5-thiophen-2-ylphenyl)-1-[(4-methoxyphenyl)methyl]triazole-4-carboxamide
CID 172447635

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119815742) is N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is COc1ccc(-c2ccc(CNC(=O)c3cn(C4CCNCC4)nn3)s2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is YRELAILQLULPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-27-16-4-2-14(3-5-16)19-7-6-17(28-19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15/h2-7,13,15,21H,8-12H2,1H3,(H,22,26).
What are the key properties of N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119815742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).