N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide

C21H25N3O3 — CID 7779440

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(17-27-19-9-5-2-6-10-19)22-15-21(26)24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
InChIKeyHQXZVMCVZNCNQF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide

N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide (PubChem CID 7779440) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
PubChem CID7779440
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O3/c25-20(17-27-19-9-5-2-6-10-19)22-15-21(26)24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
InChIKeyHQXZVMCVZNCNQF-UHFFFAOYSA-N
XLogP1.53
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 27755996
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-(4-methylphenoxy)acetamide
CID 110287343
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide;hydrochloride
CID 119402544
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
CID 75369026
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 119872718
4-hydroxy-1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylic acid
CID 120528193
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide (CID 7779440) is N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
The InChIKey is HQXZVMCVZNCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-20(17-27-19-9-5-2-6-10-19)22-15-21(26)24-13-11-23(12-14-24)16-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25).
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide?
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide has a molecular weight of 367.45 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide is sourced from PubChem (CID 7779440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).