2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

C22H27NO4 — CID 110396830

IUPAC2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-3-26-19-6-4-17(5-7-19)16-22(24)23-14-12-21(13-15-23)27-20-10-8-18(25-2)9-11-20/h4-11,21H,3,12-16H2,1-2H3
InChIKeyCKTLIZKXBIUXEM-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.71
Rot. Bonds7

About 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (PubChem CID 110396830) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
PubChem CID110396830
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Name2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H27NO4/c1-3-26-19-6-4-17(5-7-19)16-22(24)23-14-12-21(13-15-23)27-20-10-8-18(25-2)9-11-20/h4-11,21H,3,12-16H2,1-2H3
InChIKeyCKTLIZKXBIUXEM-UHFFFAOYSA-N
XLogP3.71
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
1-(4-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 67585408
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
1-[4-(1,2-dihydroxyethyl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 137337548
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 110743420
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(4-ethoxyphenyl)ethanone
CID 110866761
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone (CID 110396830) is 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCC(Oc3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
The InChIKey is CKTLIZKXBIUXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-26-19-6-4-17(5-7-19)16-22(24)23-14-12-21(13-15-23)27-20-10-8-18(25-2)9-11-20/h4-11,21H,3,12-16H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone has a molecular weight of 369.46 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 110396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).