1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide

C11H14N6O2 — CID 161244932

IUPAC1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H]2CNCC(c3cnco3)C2)nn1
InChIInChI=1S/C11H14N6O2/c12-11(18)9-5-17(16-15-9)8-1-7(2-13-3-8)10-4-14-6-19-10/h4-8,13H,1-3H2,(H2,12,18)/t7?,8-/m0/s1
InChIKeyVAMWOEHCKUNAKS-MQWKRIRWSA-N
MW262.27 g/mol
LogP-0.32
Rot. Bonds3

About 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide

1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 161244932) has the molecular formula C11H14N6O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID161244932
Molecular FormulaC11H14N6O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H]2CNCC(c3cnco3)C2)nn1
InChIInChI=1S/C11H14N6O2/c12-11(18)9-5-17(16-15-9)8-1-7(2-13-3-8)10-4-14-6-19-10/h4-8,13H,1-3H2,(H2,12,18)/t7?,8-/m0/s1
InChIKeyVAMWOEHCKUNAKS-MQWKRIRWSA-N
XLogP-0.32
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide
CID 158624105
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-[1-(azetidin-3-yl)triazol-4-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 116590674
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
1-(azetidin-3-yl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]triazole-4-carboxamide
CID 79523298
methyl 2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]acetate
CID 79317214
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79320031
1-(azetidin-3-yl)-N-(2,2,3,3-tetramethylcyclopropyl)triazole-4-carboxamide
CID 79362782
1-(azetidin-3-yl)-N-(6-oxo-1H-pyridazin-3-yl)triazole-4-carboxamide
CID 116786928
3-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 79316716
1-(azetidin-3-yl)-N-pentan-3-yltriazole-4-carboxamide
CID 79316819

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide (CID 161244932) is 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide is NC(=O)c1cn([C@@H]2CNCC(c3cnco3)C2)nn1.
What is the InChIKey of 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is VAMWOEHCKUNAKS-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H14N6O2/c12-11(18)9-5-17(16-15-9)8-1-7(2-13-3-8)10-4-14-6-19-10/h4-8,13H,1-3H2,(H2,12,18)/t7?,8-/m0/s1.
What are the key properties of 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide?
1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 262.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 161244932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).