[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

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Related Compounds

ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
[2-(furan-2-yl)cyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 56820493
[1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 75417680
[1-[(1R,2S)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 95179871
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-[2-(furan-2-yl)cyclopropyl]methanone
CID 56803154
[2-(furan-2-yl)cyclopropyl]-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56820962
[(1S,2S)-2-(furan-2-yl)cyclopropyl]-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 124850699
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 95588197
[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-[(1S,2R)-2-(furan-2-yl)cyclopropyl]methanone
CID 95588595
[(3R)-1-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 99845766
[(1S,2R)-2-(furan-2-yl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95588003

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).