furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C18H18N4O2 — CID 53192385

IUPACfuran-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(15-7-4-12-24-15)22-10-8-14(9-11-22)17-19-16(20-21-17)13-5-2-1-3-6-13/h1-7,12,14H,8-11H2,(H,19,20,21)
InChIKeyVGDIYOURYOFVMR-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.08
Rot. Bonds3

About furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192385) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192385
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Namefuran-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(15-7-4-12-24-15)22-10-8-14(9-11-22)17-19-16(20-21-17)13-5-2-1-3-6-13/h1-7,12,14H,8-11H2,(H,19,20,21)
InChIKeyVGDIYOURYOFVMR-UHFFFAOYSA-N
XLogP3.08
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192385) is furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VGDIYOURYOFVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(15-7-4-12-24-15)22-10-8-14(9-11-22)17-19-16(20-21-17)13-5-2-1-3-6-13/h1-7,12,14H,8-11H2,(H,19,20,21).
What are the key properties of furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 322.37 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).