2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone

C23H27NO4 — CID 25474322

IUPAC2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-3-17-4-8-21(9-5-17)28-16-22(25)24-14-12-19(13-15-24)23(26)18-6-10-20(27-2)11-7-18/h4-11,19H,3,12-16H2,1-2H3
InChIKeyMITLOSPFSHQYJA-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.76
Rot. Bonds7

About 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone

2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone (PubChem CID 25474322) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
PubChem CID25474322
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone
SMILESCCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C23H27NO4/c1-3-17-4-8-21(9-5-17)28-16-22(25)24-14-12-19(13-15-24)23(26)18-6-10-20(27-2)11-7-18/h4-11,19H,3,12-16H2,1-2H3
InChIKeyMITLOSPFSHQYJA-UHFFFAOYSA-N
XLogP3.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone (CID 25474322) is 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone is CCc1ccc(OCC(=O)N2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone?
The InChIKey is MITLOSPFSHQYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-3-17-4-8-21(9-5-17)28-16-22(25)24-14-12-19(13-15-24)23(26)18-6-10-20(27-2)11-7-18/h4-11,19H,3,12-16H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone?
2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone has a molecular weight of 381.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 25474322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).