furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C18H18N4O2 — CID 91904969

IUPACfuran-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(16-7-4-12-24-16)21-10-8-15(9-11-21)22-13-19-20-17(22)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2
InChIKeyDSPUMGTZDVGOLW-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.02
Rot. Bonds3

About furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 91904969) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID91904969
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namefuran-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(n2cnnc2-c2ccccc2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(16-7-4-12-24-16)21-10-8-15(9-11-21)22-13-19-20-17(22)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2
InChIKeyDSPUMGTZDVGOLW-UHFFFAOYSA-N
XLogP3.02
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
furan-2-yl-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 754221
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326
1-(furan-2-carbonyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27831080
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2357611
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
1-(furan-2-carbonyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 39189511
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2660030
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-(furan-2-yl)pyridazin-3-one
CID 16671079
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 91904969) is furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(n2cnnc2-c2ccccc2)CC1.
What is the InChIKey of furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is DSPUMGTZDVGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(16-7-4-12-24-16)21-10-8-15(9-11-21)22-13-19-20-17(22)14-5-2-1-3-6-14/h1-7,12-13,15H,8-11H2.
What are the key properties of furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91904969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).