furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C13H19NO3 — CID 53150870

IUPACfuran-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO3/c1-16-10-6-11-4-7-14(8-5-11)13(15)12-3-2-9-17-12/h2-3,9,11H,4-8,10H2,1H3
InChIKeyYKLGMIUVOUMVFN-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds4

About furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 53150870) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID53150870
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namefuran-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C13H19NO3/c1-16-10-6-11-4-7-14(8-5-11)13(15)12-3-2-9-17-12/h2-3,9,11H,4-8,10H2,1H3
InChIKeyYKLGMIUVOUMVFN-UHFFFAOYSA-N
XLogP2.17
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 53150870) is furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is YKLGMIUVOUMVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-10-6-11-4-7-14(8-5-11)13(15)12-3-2-9-17-12/h2-3,9,11H,4-8,10H2,1H3.
What are the key properties of furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 237.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53150870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).