2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

C21H26N2O4 — CID 4878012

IUPAC2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(24)17-7-9-18(10-8-17)27-15-21(25)22-14-19(20-6-5-13-26-20)23-11-3-2-4-12-23/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,22,25)
InChIKeyXQVVGEATYWDKIT-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.20
Rot. Bonds8

About 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide

2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (PubChem CID 4878012) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
PubChem CID4878012
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
SMILESCC(=O)c1ccc(OCC(=O)NCC(c2ccco2)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O4/c1-16(24)17-7-9-18(10-8-17)27-15-21(25)22-14-19(20-6-5-13-26-20)23-11-3-2-4-12-23/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,22,25)
InChIKeyXQVVGEATYWDKIT-UHFFFAOYSA-N
XLogP3.20
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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A 317920
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CL82198
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Furan-2-carboxamide deriv., 17
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Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
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(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-(5-methylfuran-2-yl)-N-propan-2-ylacetamide
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2-(Furan-2-carboxamido)-3-(4-hydroxyphenyl)propanoic acid
CID 565567
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CID 23653741

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The IUPAC name of 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide (CID 4878012) is 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is CC(=O)c1ccc(OCC(=O)NCC(c2ccco2)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
The InChIKey is XQVVGEATYWDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16(24)17-7-9-18(10-8-17)27-15-21(25)22-14-19(20-6-5-13-26-20)23-11-3-2-4-12-23/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,22,25).
What are the key properties of 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide?
2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide is sourced from PubChem (CID 4878012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).