N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

C17H25N5OS — CID 45252642

IUPACN,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C17H25N5OS/c1-3-21(4-2)17(23)16-12-22(19-18-16)15-6-5-8-20(11-15)10-14-7-9-24-13-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyZRNUTLFKMVBEDG-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds6

About N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 45252642) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID45252642
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCCN(Cc3ccsc3)C2)nn1
InChIInChI=1S/C17H25N5OS/c1-3-21(4-2)17(23)16-12-22(19-18-16)15-6-5-8-20(11-15)10-14-7-9-24-13-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3
InChIKeyZRNUTLFKMVBEDG-UHFFFAOYSA-N
XLogP2.66
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (CID 45252642) is N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCCN(Cc3ccsc3)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is ZRNUTLFKMVBEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-3-21(4-2)17(23)16-12-22(19-18-16)15-6-5-8-20(11-15)10-14-7-9-24-13-14/h7,9,12-13,15H,3-6,8,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(thiophen-3-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 45252642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).