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

C15H20N4O2 — CID 53192605

IUPACfuran-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(2)19-10-16-17-14(19)12-3-6-18(7-4-12)15(20)13-5-8-21-9-13/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyDUWFDVLUPTVZNU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.47
Rot. Bonds3

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

furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192605) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192605
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namefuran-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cnnc1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C15H20N4O2/c1-11(2)19-10-16-17-14(19)12-3-6-18(7-4-12)15(20)13-5-8-21-9-13/h5,8-12H,3-4,6-7H2,1-2H3
InChIKeyDUWFDVLUPTVZNU-UHFFFAOYSA-N
XLogP2.47
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192605) is furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CC(C)n1cnnc1C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DUWFDVLUPTVZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)19-10-16-17-14(19)12-3-6-18(7-4-12)15(20)13-5-8-21-9-13/h5,8-12H,3-4,6-7H2,1-2H3.
What are the key properties of furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).