N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C23H21N5O3S — CID 38215351

IUPACN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O3S/c29-22(24-17-8-11-27(12-9-17)23(30)16-10-13-31-15-16)20-25-21(19-7-4-14-32-19)28(26-20)18-5-2-1-3-6-18/h1-7,10,13-15,17H,8-9,11-12H2,(H,24,29)
InChIKeyFOONVQFIVSNSFY-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 38215351) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID38215351
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC NameN-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C23H21N5O3S/c29-22(24-17-8-11-27(12-9-17)23(30)16-10-13-31-15-16)20-25-21(19-7-4-14-32-19)28(26-20)18-5-2-1-3-6-18/h1-7,10,13-15,17H,8-9,11-12H2,(H,24,29)
InChIKeyFOONVQFIVSNSFY-UHFFFAOYSA-N
XLogP3.62
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

N-(4-acetamidocyclohexyl)-1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 154805770
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55950264
N-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 96534362
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24667518
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
(3S)-1-(1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119174031
N-(3-methylpiperidin-4-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 120554536
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 47031549
(1-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17495791
[1-(cyclopentylamino)-1-oxopropan-2-yl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 46509385
(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 46539697
[1-[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 33179880

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 38215351) is N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1nc(-c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is FOONVQFIVSNSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-22(24-17-8-11-27(12-9-17)23(30)16-10-13-31-15-16)20-25-21(19-7-4-14-32-19)28(26-20)18-5-2-1-3-6-18/h1-7,10,13-15,17H,8-9,11-12H2,(H,24,29).
What are the key properties of N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 38215351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).