2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone

C21H25NO4 — CID 124843390

IUPAC2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1cccc([C@H]2CCCCN2C(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H25NO4/c1-24-17-9-7-8-16(14-17)18-10-5-6-13-22(18)21(23)15-26-20-12-4-3-11-19(20)25-2/h3-4,7-9,11-12,14,18H,5-6,10,13,15H2,1-2H3/t18-/m1/s1
InChIKeyDQHBTRQCHRUNSF-GOSISDBHSA-N
MW355.43 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone (PubChem CID 124843390) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
PubChem CID124843390
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
SMILESCOc1cccc([C@H]2CCCCN2C(=O)COc2ccccc2OC)c1
InChIInChI=1S/C21H25NO4/c1-24-17-9-7-8-16(14-17)18-10-5-6-13-22(18)21(23)15-26-20-12-4-3-11-19(20)25-2/h3-4,7-9,11-12,14,18H,5-6,10,13,15H2,1-2H3/t18-/m1/s1
InChIKeyDQHBTRQCHRUNSF-GOSISDBHSA-N
XLogP3.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone (CID 124843390) is 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone is COc1cccc([C@H]2CCCCN2C(=O)COc2ccccc2OC)c1.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone?
The InChIKey is DQHBTRQCHRUNSF-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-17-9-7-8-16(14-17)18-10-5-6-13-22(18)21(23)15-26-20-12-4-3-11-19(20)25-2/h3-4,7-9,11-12,14,18H,5-6,10,13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone has a molecular weight of 355.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124843390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).