1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C14H17N5O2S — CID 129488651

IUPAC1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cscc1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1
InChIInChI=1S/C14H17N5O2S/c1-9-6-22-7-11(9)14(21)18-4-2-3-10(5-18)19-8-16-13(17-19)12(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)/t10-/m1/s1
InChIKeyGQONGDILIICEHX-SNVBAGLBSA-N
MW319.39 g/mol
LogP1.22
Rot. Bonds3

About 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488651) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488651
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cscc1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1
InChIInChI=1S/C14H17N5O2S/c1-9-6-22-7-11(9)14(21)18-4-2-3-10(5-18)19-8-16-13(17-19)12(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)/t10-/m1/s1
InChIKeyGQONGDILIICEHX-SNVBAGLBSA-N
XLogP1.22
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488947
ethyl 1-[(3S)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]pyrazole-4-carboxylate
CID 97150054
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
(3R)-3-(3-carbamoyl-1,2,4-triazol-1-yl)-N-(3-methylsulfanylpropyl)piperidine-1-carboxamide
CID 129488934
1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490005
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 136512721
2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769
(2,5-dimethylthiophen-3-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 86768302

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488651) is 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is Cc1cscc1C(=O)N1CCC[C@@H](n2cnc(C(N)=O)n2)C1.
What is the InChIKey of 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is GQONGDILIICEHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-6-22-7-11(9)14(21)18-4-2-3-10(5-18)19-8-16-13(17-19)12(15)20/h6-8,10H,2-5H2,1H3,(H2,15,20)/t10-/m1/s1.
What are the key properties of 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).