2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide

C16H23N3O3 — CID 37387185

IUPAC2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCC(=O)N2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C16H23N3O3/c1-12-4-3-5-14(13(12)2)22-11-16(21)19-8-6-18(7-9-19)10-15(17)20/h3-5H,6-11H2,1-2H3,(H2,17,20)
InChIKeyVRRNMPGYCPDJCW-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide

2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide (PubChem CID 37387185) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
PubChem CID37387185
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide
SMILESCc1cccc(OCC(=O)N2CCN(CC(N)=O)CC2)c1C
InChIInChI=1S/C16H23N3O3/c1-12-4-3-5-14(13(12)2)22-11-16(21)19-8-6-18(7-9-19)10-15(17)20/h3-5H,6-11H2,1-2H3,(H2,17,20)
InChIKeyVRRNMPGYCPDJCW-UHFFFAOYSA-N
XLogP0.31
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
butyl 4-[2-(2,3-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 108568741
2-(2,3-dimethylphenoxy)-1-[4-(2-fluorobenzoyl)piperazin-1-yl]ethanone
CID 108533699
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013544
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-(2,3-dimethylphenoxy)-1-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 108535738
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide (CID 37387185) is 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide is Cc1cccc(OCC(=O)N2CCN(CC(N)=O)CC2)c1C.
What is the InChIKey of 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide?
The InChIKey is VRRNMPGYCPDJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12-4-3-5-14(13(12)2)22-11-16(21)19-8-6-18(7-9-19)10-15(17)20/h3-5H,6-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide?
2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 37387185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).