[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate

C22H26N2O4 — CID 54422834

IUPAC[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C22H26N2O4/c1-17(19-7-9-20(25)10-8-19)22(27)28-16-21(26)24-13-11-23(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,25H,11-16H2,1H3
InChIKeyWBZUNTPZWBFZHU-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.38
Rot. Bonds6

About [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate

[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate (PubChem CID 54422834) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate
PubChem CID54422834
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C22H26N2O4/c1-17(19-7-9-20(25)10-8-19)22(27)28-16-21(26)24-13-11-23(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,25H,11-16H2,1H3
InChIKeyWBZUNTPZWBFZHU-UHFFFAOYSA-N
XLogP2.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-phenylpropan-1-one
CID 71304914
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-phenylsulfanylacetate
CID 55479261
1-(4-benzylpiperazin-1-yl)-2-(butan-2-ylamino)ethanone
CID 60684325
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46561441
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
2-(benzhydrylamino)-1-(4-benzylpiperazin-1-yl)ethanone
CID 55345495
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
1-(4-benzylpiperazin-1-yl)-5-methylhexan-1-one
CID 143244837
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 22264488

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate?
The IUPAC name of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate (CID 54422834) is [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate is CC(C(=O)OCC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate?
The InChIKey is WBZUNTPZWBFZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-17(19-7-9-20(25)10-8-19)22(27)28-16-21(26)24-13-11-23(12-14-24)15-18-5-3-2-4-6-18/h2-10,17,25H,11-16H2,1H3.
What are the key properties of [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate?
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate has a molecular weight of 382.46 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 54422834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).