3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one

C22H26N2O6 — CID 4740376

IUPAC3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O6/c1-28-18-6-8-20(9-7-18)30-16-22(27)24-13-11-23(12-14-24)21(26)10-15-29-19-4-2-17(25)3-5-19/h2-9,25H,10-16H2,1H3
InChIKeyFFGKCZIOYVVSMQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP1.92
Rot. Bonds8

About 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one

3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 4740376) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
PubChem CID4740376
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
SMILESCOc1ccc(OCC(=O)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1
InChIInChI=1S/C22H26N2O6/c1-28-18-6-8-20(9-7-18)30-16-22(27)24-13-11-23(12-14-24)21(26)10-15-29-19-4-2-17(25)3-5-19/h2-9,25H,10-16H2,1H3
InChIKeyFFGKCZIOYVVSMQ-UHFFFAOYSA-N
XLogP1.92
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(4-hydroxyphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 4741202
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050601
3-(2-bromo-4-methylphenoxy)-1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 4740245
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547509
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578
3-(4-hydroxyphenoxy)-1-[4-(2,4,5-trimethylphenyl)piperazin-1-yl]propan-1-one
CID 4741160
N,N-diethyl-4-[2-(4-methoxyphenoxy)acetyl]piperazine-1-carboxamide
CID 110365995
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one (CID 4740376) is 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one is COc1ccc(OCC(=O)N2CCN(C(=O)CCOc3ccc(O)cc3)CC2)cc1.
What is the InChIKey of 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is FFGKCZIOYVVSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-28-18-6-8-20(9-7-18)30-16-22(27)24-13-11-23(12-14-24)21(26)10-15-29-19-4-2-17(25)3-5-19/h2-9,25H,10-16H2,1H3.
What are the key properties of 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one?
3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 414.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenoxy)-1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4740376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).