2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide

C21H27N3O2 — CID 25118359

IUPAC2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1O
InChIInChI=1S/C21H27N3O2/c25-20-9-5-4-8-19(20)10-11-22-21(26)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,25H,10-17H2,(H,22,26)
InChIKeyRLBVGVZNHZYTFV-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.87
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide

2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide (PubChem CID 25118359) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide
PubChem CID25118359
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1O
InChIInChI=1S/C21H27N3O2/c25-20-9-5-4-8-19(20)10-11-22-21(26)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,25H,10-17H2,(H,22,26)
InChIKeyRLBVGVZNHZYTFV-UHFFFAOYSA-N
XLogP1.87
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
2,2'-(Ethane-1,2-diylbis(azanediylmethylene))diphenol
CID 199210
(R)-2-(2-phenyl-2-(piperazin-1-yl)ethyl)phenol
CID 46890321
N-cyclopropyl-3-[1-(2-hydroxybenzyl)piperidin-4-yl]propanamide
CID 23723352
N,N'-Bis-(2-hydroxybenzyl)-hexamethylenediamine
CID 1957305
2-[[3-[(2-Hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 2283723
2-(4-Benzyl-piperidin-1-yl)-N-(4-hydroxy-phenyl)-2-oxo-acetamide
CID 10290921
N-(1-Benzylpiperidin-4-YL)-2-(2-hydroxyphenyl)acetamide
CID 10711119
2-[2-[(2-Hydroxyphenyl)methylamino]ethyl]phenol
CID 59917207
3,6-Bis((4-hydroxyphenyl)methyl)-2,5-piperazinedione
CID 192816
N,N'-Dodecamethylenebis(2-hydroxybenzylamine)
CID 4535168

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide (CID 25118359) is 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCCc1ccccc1O.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide?
The InChIKey is RLBVGVZNHZYTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-9-5-4-8-19(20)10-11-22-21(26)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-9,25H,10-17H2,(H,22,26).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[2-(2-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 25118359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).