1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride

C18H20ClN5OS — CID 119708561

IUPAC1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2cccs2)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H19N5OS.ClH/c24-18(16-12-23(22-21-16)15-6-8-19-9-7-15)20-14-4-1-3-13(11-14)17-5-2-10-25-17;/h1-5,10-12,15,19H,6-9H2,(H,20,24);1H
InChIKeyRAVZJQNNDLGNFP-UHFFFAOYSA-N
MW389.91 g/mol
LogP3.61
Rot. Bonds4

About 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119708561) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119708561
Molecular FormulaC18H20ClN5OS
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(-c2cccs2)c1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H19N5OS.ClH/c24-18(16-12-23(22-21-16)15-6-8-19-9-7-15)20-14-4-1-3-13(11-14)17-5-2-10-25-17;/h1-5,10-12,15,19H,6-9H2,(H,20,24);1H
InChIKeyRAVZJQNNDLGNFP-UHFFFAOYSA-N
XLogP3.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-oxazol-5-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119399827
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763582
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119685390
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-[3-(5-chlorothiadiazol-4-yl)phenyl]-1-cyclohexyltriazole-4-carboxamide
CID 166252442
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-[3-(cyclopentylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801054

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride (CID 119708561) is 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(-c2cccs2)c1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is RAVZJQNNDLGNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS.ClH/c24-18(16-12-23(22-21-16)15-6-8-19-9-7-15)20-14-4-1-3-13(11-14)17-5-2-10-25-17;/h1-5,10-12,15,19H,6-9H2,(H,20,24);1H.
What are the key properties of 1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 389.91 g/mol, XLogP of 3.61, 4 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-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119708561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).