[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

C21H25NO3 — CID 56821879

IUPAC[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCCOc1ccccc1C1CCN(C(=O)C2CC2c2ccco2)CC1
InChIInChI=1S/C21H25NO3/c1-2-24-19-7-4-3-6-16(19)15-9-11-22(12-10-15)21(23)18-14-17(18)20-8-5-13-25-20/h3-8,13,15,17-18H,2,9-12,14H2,1H3
InChIKeyXBIRNCUVMUCMQA-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.19
Rot. Bonds5

About [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone

[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (PubChem CID 56821879) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
PubChem CID56821879
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
SMILESCCOc1ccccc1C1CCN(C(=O)C2CC2c2ccco2)CC1
InChIInChI=1S/C21H25NO3/c1-2-24-19-7-4-3-6-16(19)15-9-11-22(12-10-15)21(23)18-14-17(18)20-8-5-13-25-20/h3-8,13,15,17-18H,2,9-12,14H2,1H3
InChIKeyXBIRNCUVMUCMQA-UHFFFAOYSA-N
XLogP4.19
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone (CID 56821879) is [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is CCOc1ccccc1C1CCN(C(=O)C2CC2c2ccco2)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
The InChIKey is XBIRNCUVMUCMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-24-19-7-4-3-6-16(19)15-9-11-22(12-10-15)21(23)18-14-17(18)20-8-5-13-25-20/h3-8,13,15,17-18H,2,9-12,14H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone?
[4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperidin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone is sourced from PubChem (CID 56821879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).