1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

C14H19N5OS — CID 63283028

IUPAC1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H19N5OS/c20-14(16-8-5-12-2-1-9-21-12)13-10-19(18-17-13)11-3-6-15-7-4-11/h1-2,9-11,15H,3-8H2,(H,16,20)
InChIKeyJVDVMDYAHUYSEP-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.24
Rot. Bonds5

About 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide

1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (PubChem CID 63283028) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
PubChem CID63283028
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccs1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C14H19N5OS/c20-14(16-8-5-12-2-1-9-21-12)13-10-19(18-17-13)11-3-6-15-7-4-11/h1-2,9-11,15H,3-8H2,(H,16,20)
InChIKeyJVDVMDYAHUYSEP-UHFFFAOYSA-N
XLogP1.24
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
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1-piperidin-4-yl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119689941
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
1-methyl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 45497207
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692171
1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 119698099
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106175162
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide (CID 63283028) is 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is O=C(NCCc1cccs1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
The InChIKey is JVDVMDYAHUYSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c20-14(16-8-5-12-2-1-9-21-12)13-10-19(18-17-13)11-3-6-15-7-4-11/h1-2,9-11,15H,3-8H2,(H,16,20).
What are the key properties of 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide?
1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 63283028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).