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

C15H18N4O2 — CID 53192221

IUPAC[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H18N4O2/c20-15(12-5-7-21-9-12)19-6-1-2-11(8-19)14-16-13(17-18-14)10-3-4-10/h5,7,9-11H,1-4,6,8H2,(H,16,17,18)
InChIKeyQWBOZSKMAUWGMH-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds3

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

[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 53192221) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID53192221
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C15H18N4O2/c20-15(12-5-7-21-9-12)19-6-1-2-11(8-19)14-16-13(17-18-14)10-3-4-10/h5,7,9-11H,1-4,6,8H2,(H,16,17,18)
InChIKeyQWBOZSKMAUWGMH-UHFFFAOYSA-N
XLogP2.29
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone (CID 53192221) is [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is QWBOZSKMAUWGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(12-5-7-21-9-12)19-6-1-2-11(8-19)14-16-13(17-18-14)10-3-4-10/h5,7,9-11H,1-4,6,8H2,(H,16,17,18).
What are the key properties of [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone?
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 53192221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).