4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide

C12H23N3O4 — CID 108570063

IUPAC4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOCCOCC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O4/c1-13(2)12(17)15-6-4-14(5-7-15)11(16)10-19-9-8-18-3/h4-10H2,1-3H3
InChIKeySCXOHYMTIHDYGK-UHFFFAOYSA-N
MW273.33 g/mol
LogP-0.52
Rot. Bonds5

About 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide

4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 108570063) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID108570063
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCOCCOCC(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H23N3O4/c1-13(2)12(17)15-6-4-14(5-7-15)11(16)10-19-9-8-18-3/h4-10H2,1-3H3
InChIKeySCXOHYMTIHDYGK-UHFFFAOYSA-N
XLogP-0.52
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
4-[2-(2-methoxyethoxy)acetyl]piperazine-1-sulfonamide
CID 113235213
2,2,2-trifluoro-1-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108543737
1-(3,5-dimethylpiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601586
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372
2-ethyl-1-[4-[2-(2-methoxyethoxy)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 108547676
1-(4-ethoxypiperidin-1-yl)-2-(2-methoxyethoxy)ethanone
CID 113226406
2-(2-methoxyethoxy)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113220101
1-[2-(2-methoxyethoxy)acetyl]-4-methylpiperidine-4-carbonitrile
CID 113368421
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
CID 62231766

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide (CID 108570063) is 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide is COCCOCC(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is SCXOHYMTIHDYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-13(2)12(17)15-6-4-14(5-7-15)11(16)10-19-9-8-18-3/h4-10H2,1-3H3.
What are the key properties of 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 273.33 g/mol, XLogP of -0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 108570063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).