[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone

C19H23NO4 — CID 70741775

IUPAC[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3ccoc3C)C2)c1
InChIInChI=1S/C19H23NO4/c1-14-18(8-10-23-14)19(21)20-9-4-5-15(12-20)13-24-17-7-3-6-16(11-17)22-2/h3,6-8,10-11,15H,4-5,9,12-13H2,1-2H3
InChIKeyCJDQBIUFGVBRFX-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.53
Rot. Bonds5

About [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone

[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 70741775) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID70741775
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCOc1cccc(OCC2CCCN(C(=O)c3ccoc3C)C2)c1
InChIInChI=1S/C19H23NO4/c1-14-18(8-10-23-14)19(21)20-9-4-5-15(12-20)13-24-17-7-3-6-16(11-17)22-2/h3,6-8,10-11,15H,4-5,9,12-13H2,1-2H3
InChIKeyCJDQBIUFGVBRFX-UHFFFAOYSA-N
XLogP3.53
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 70741775) is [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is COc1cccc(OCC2CCCN(C(=O)c3ccoc3C)C2)c1.
What is the InChIKey of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is CJDQBIUFGVBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-14-18(8-10-23-14)19(21)20-9-4-5-15(12-20)13-24-17-7-3-6-16(11-17)22-2/h3,6-8,10-11,15H,4-5,9,12-13H2,1-2H3.
What are the key properties of [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone?
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 70741775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).