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

C18H22N4O2 — CID 53192647

IUPACoxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCC(c2nncn2-c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(16-7-4-12-24-16)21-10-8-14(9-11-21)17-20-19-13-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2
InChIKeySXYVMFDTRGEMNG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.15
Rot. Bonds3

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

oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192647) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192647
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Nameoxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CCC(c2nncn2-c2ccccc2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(16-7-4-12-24-16)21-10-8-14(9-11-21)17-20-19-13-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2
InChIKeySXYVMFDTRGEMNG-UHFFFAOYSA-N
XLogP2.15
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192647) is oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is O=C(C1CCCO1)N1CCC(c2nncn2-c2ccccc2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is SXYVMFDTRGEMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(16-7-4-12-24-16)21-10-8-14(9-11-21)17-20-19-13-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12H2.
What are the key properties of oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).