1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride

C16H19ClN6O2S — CID 119698099

IUPAC1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1coc(-c2cccs2)n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6O2S.ClH/c23-15(13-9-22(21-20-13)12-3-5-17-6-4-12)18-8-11-10-24-16(19-11)14-2-1-7-25-14;/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23);1H
InChIKeyOEIWLCTTZKTAJG-UHFFFAOYSA-N
MW394.89 g/mol
LogP2.27
Rot. Bonds5

About 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride

1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 119698099) has the molecular formula C16H19ClN6O2S and a molecular weight of 394.89 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID119698099
Molecular FormulaC16H19ClN6O2S
Molecular Weight394.89 g/mol
Exact Mass394.10
IUPAC Name1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1coc(-c2cccs2)n1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C16H18N6O2S.ClH/c23-15(13-9-22(21-20-13)12-3-5-17-6-4-12)18-8-11-10-24-16(19-11)14-2-1-7-25-14;/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23);1H
InChIKeyOEIWLCTTZKTAJG-UHFFFAOYSA-N
XLogP2.27
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

1-piperidin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 63283028
N-(1,2-oxazol-3-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 81170009
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119839239
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
1-piperidin-4-yl-N-(3-thiophen-2-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119708561
N-[(5-ethylthiophen-2-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119727861
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119686694
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119815741
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106381319

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride (CID 119698099) is 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride is Cl.O=C(NCc1coc(-c2cccs2)n1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is OEIWLCTTZKTAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S.ClH/c23-15(13-9-22(21-20-13)12-3-5-17-6-4-12)18-8-11-10-24-16(19-11)14-2-1-7-25-14;/h1-2,7,9-10,12,17H,3-6,8H2,(H,18,23);1H.
What are the key properties of 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride?
1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 394.89 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119698099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).