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

C18H22N4O2 — CID 51105799

IUPACoxolan-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/C18H22N4O2/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/h1-3,5-6,14-15H,4,7-12H2,(H,19,20,21)
InChIKeyZILXSOOLQYBSKI-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.36
Rot. Bonds3

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

oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 51105799) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID51105799
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Nameoxolan-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/C18H22N4O2/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/h1-3,5-6,14-15H,4,7-12H2,(H,19,20,21)
InChIKeyZILXSOOLQYBSKI-UHFFFAOYSA-N
XLogP2.36
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 51105799) is oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for oxolan-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 oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is ZILXSOOLQYBSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/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/h1-3,5-6,14-15H,4,7-12H2,(H,19,20,21).
What are the key properties of oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51105799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).