2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

C23H31N3O3 — CID 87012622

IUPAC2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-18(2)29-20-9-7-19(8-10-20)11-12-24-23(28)17-25-13-15-26(16-14-25)21-5-3-4-6-22(21)27/h3-10,18,27H,11-17H2,1-2H3,(H,24,28)
InChIKeyQFYAOWSPAARDEB-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.66
Rot. Bonds8

About 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (PubChem CID 87012622) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
PubChem CID87012622
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
SMILESCC(C)Oc1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C23H31N3O3/c1-18(2)29-20-9-7-19(8-10-20)11-12-24-23(28)17-25-13-15-26(16-14-25)21-5-3-4-6-22(21)27/h3-10,18,27H,11-17H2,1-2H3,(H,24,28)
InChIKeyQFYAOWSPAARDEB-UHFFFAOYSA-N
XLogP2.66
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111184585
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
N-[2-(4-chlorophenyl)ethyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 8687762
2-(3-hydroxypiperidin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110897518
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8529187
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 119919489
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 134038263
2-(2,4-dimethylpiperazin-1-yl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 71877575
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 30724972

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide (CID 87012622) is 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is CC(C)Oc1ccc(CCNC(=O)CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
The InChIKey is QFYAOWSPAARDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-18(2)29-20-9-7-19(8-10-20)11-12-24-23(28)17-25-13-15-26(16-14-25)21-5-3-4-6-22(21)27/h3-10,18,27H,11-17H2,1-2H3,(H,24,28).
What are the key properties of 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide?
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide has a molecular weight of 397.52 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide is sourced from PubChem (CID 87012622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).