3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

C14H21NO3 — CID 56788477

IUPAC3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C14H21NO3/c1-17-11-12-6-8-15(9-7-12)14(16)5-4-13-3-2-10-18-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyHXIWIGNKGBHHND-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds5

About 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one

3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 56788477) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID56788477
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCN(C(=O)CCc2ccco2)CC1
InChIInChI=1S/C14H21NO3/c1-17-11-12-6-8-15(9-7-12)14(16)5-4-13-3-2-10-18-13/h2-3,10,12H,4-9,11H2,1H3
InChIKeyHXIWIGNKGBHHND-UHFFFAOYSA-N
XLogP2.10
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 56788477) is 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCN(C(=O)CCc2ccco2)CC1.
What is the InChIKey of 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is HXIWIGNKGBHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-12-6-8-15(9-7-12)14(16)5-4-13-3-2-10-18-13/h2-3,10,12H,4-9,11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one?
3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56788477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).