1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C15H19N5O3 — CID 129488947

IUPAC1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)oc1C
InChIInChI=1S/C15H19N5O3/c1-9-6-12(23-10(9)2)15(22)19-5-3-4-11(7-19)20-8-17-14(18-20)13(16)21/h6,8,11H,3-5,7H2,1-2H3,(H2,16,21)/t11-/m1/s1
InChIKeyZPGWTYYIFLLWFW-LLVKDONJSA-N
MW317.35 g/mol
LogP1.06
Rot. Bonds3

About 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129488947) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129488947
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESCc1cc(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)oc1C
InChIInChI=1S/C15H19N5O3/c1-9-6-12(23-10(9)2)15(22)19-5-3-4-11(7-19)20-8-17-14(18-20)13(16)21/h6,8,11H,3-5,7H2,1-2H3,(H2,16,21)/t11-/m1/s1
InChIKeyZPGWTYYIFLLWFW-LLVKDONJSA-N
XLogP1.06
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488651
1-[(3S)-1-[(2S,3R)-3-methyloxolane-2-carbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490234
1-[(3S)-1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490144
(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
1-benzofuran-2-yl-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 95335476
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4,5-dimethylfuran-2-carbonyl)piperazin-1-yl]ethanone
CID 57442857
1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 127957586
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylate
CID 171137586
1-benzofuran-2-yl-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606705
2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-3-sulfonamide
CID 119493911
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129488947) is 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is Cc1cc(C(=O)N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)oc1C.
What is the InChIKey of 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is ZPGWTYYIFLLWFW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-9-6-12(23-10(9)2)15(22)19-5-3-4-11(7-19)20-8-17-14(18-20)13(16)21/h6,8,11H,3-5,7H2,1-2H3,(H2,16,21)/t11-/m1/s1.
What are the key properties of 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(4,5-dimethylfuran-2-carbonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129488947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).