2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

C20H24N2O3 — CID 70716611

IUPAC2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H24N2O3/c23-20(16-24-14-17-6-2-1-3-7-17)22-11-5-9-19(13-22)25-15-18-8-4-10-21-12-18/h1-4,6-8,10,12,19H,5,9,11,13-16H2
InChIKeyWPRWKFVBEHYIRK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.81
Rot. Bonds7

About 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone

2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 70716611) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
PubChem CID70716611
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
SMILESO=C(COCc1ccccc1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C20H24N2O3/c23-20(16-24-14-17-6-2-1-3-7-17)22-11-5-9-19(13-22)25-15-18-8-4-10-21-12-18/h1-4,6-8,10,12,19H,5,9,11,13-16H2
InChIKeyWPRWKFVBEHYIRK-UHFFFAOYSA-N
XLogP2.81
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone (CID 70716611) is 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is O=C(COCc1ccccc1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
The InChIKey is WPRWKFVBEHYIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-20(16-24-14-17-6-2-1-3-7-17)22-11-5-9-19(13-22)25-15-18-8-4-10-21-12-18/h1-4,6-8,10,12,19H,5,9,11,13-16H2.
What are the key properties of 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone?
2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 70716611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).