2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide

C22H27N3O3 — CID 60529408

IUPAC2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-23-21(26)16-24-11-13-25(14-12-24)22(27)17-28-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyPGEBTPXNIDCHKG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.55
Rot. Bonds7

About 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide

2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide (PubChem CID 60529408) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
PubChem CID60529408
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c1-23-21(26)16-24-11-13-25(14-12-24)22(27)17-28-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,23,26)
InChIKeyPGEBTPXNIDCHKG-UHFFFAOYSA-N
XLogP1.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
N-benzyl-2-[4-[2-(2-ethylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55495246
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
1-(4-benzylpiperazin-1-yl)-2-(2-ethylphenoxy)ethanone
CID 2476156
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
N-methyl-2-[4-[2-(2,4,5-trichlorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78801280
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
N-(2,6-dimethylphenyl)-2-[4-[2-(2-formylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 30834010

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide (CID 60529408) is 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)COc2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide?
The InChIKey is PGEBTPXNIDCHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-23-21(26)16-24-11-13-25(14-12-24)22(27)17-28-20-10-6-5-9-19(20)15-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,23,26).
What are the key properties of 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide?
2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide has a molecular weight of 381.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60529408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).