[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

C20H23NO3 — CID 71875449

IUPAC[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C20H23NO3/c22-20(18-12-17(18)19-9-5-11-23-19)21-10-4-6-15(13-21)14-24-16-7-2-1-3-8-16/h1-3,5,7-9,11,15,17-18H,4,6,10,12-14H2
InChIKeyRYDCIRSAUQPPJH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.70
Rot. Bonds5

About [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 71875449) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID71875449
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC1c1ccco1)N1CCCC(COc2ccccc2)C1
InChIInChI=1S/C20H23NO3/c22-20(18-12-17(18)19-9-5-11-23-19)21-10-4-6-15(13-21)14-24-16-7-2-1-3-8-16/h1-3,5,7-9,11,15,17-18H,4,6,10,12-14H2
InChIKeyRYDCIRSAUQPPJH-UHFFFAOYSA-N
XLogP3.70
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 71875449) is [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is O=C(C1CC1c1ccco1)N1CCCC(COc2ccccc2)C1.
What is the InChIKey of [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is RYDCIRSAUQPPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-20(18-12-17(18)19-9-5-11-23-19)21-10-4-6-15(13-21)14-24-16-7-2-1-3-8-16/h1-3,5,7-9,11,15,17-18H,4,6,10,12-14H2.
What are the key properties of [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
[2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 325.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)cyclopropyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 71875449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).