[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

C17H21N3O2 — CID 154801022

IUPAC[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCCC1c1ccco1
InChIInChI=1S/C17H21N3O2/c21-17(12-6-7-14-13(10-12)11-18-19-14)20-8-2-1-4-15(20)16-5-3-9-22-16/h3,5,9,11-12,15H,1-2,4,6-8,10H2,(H,18,19)
InChIKeyNZGIQOQUZLEOBY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.86
Rot. Bonds2

About [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone

[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (PubChem CID 154801022) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
PubChem CID154801022
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone
SMILESO=C(C1CCc2[nH]ncc2C1)N1CCCCC1c1ccco1
InChIInChI=1S/C17H21N3O2/c21-17(12-6-7-14-13(10-12)11-18-19-14)20-8-2-1-4-15(20)16-5-3-9-22-16/h3,5,9,11-12,15H,1-2,4,6-8,10H2,(H,18,19)
InChIKeyNZGIQOQUZLEOBY-UHFFFAOYSA-N
XLogP2.86
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The IUPAC name of [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone (CID 154801022) is [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone.
What is the SMILES notation for [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The canonical SMILES for [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is O=C(C1CCc2[nH]ncc2C1)N1CCCCC1c1ccco1.
What is the InChIKey of [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
The InChIKey is NZGIQOQUZLEOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(12-6-7-14-13(10-12)11-18-19-14)20-8-2-1-4-15(20)16-5-3-9-22-16/h3,5,9,11-12,15H,1-2,4,6-8,10H2,(H,18,19).
What are the key properties of [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone?
[2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-5-yl)methanone is sourced from PubChem (CID 154801022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).