2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid

C19H38N4O6 — CID 154907400

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
SMILESCCN1CCN(CC(=O)NCC2CCCN(CCOC)C2)CC1.O=CO.O=CO
InChIInChI=1S/C17H34N4O2.2CH2O2/c1-3-19-7-9-21(10-8-19)15-17(22)18-13-16-5-4-6-20(14-16)11-12-23-2;2*2-1-3/h16H,3-15H2,1-2H3,(H,18,22);2*1H,(H,2,3)
InChIKeyAPDHYAZXHLQOLO-UHFFFAOYSA-N
MW418.54 g/mol
LogP-0.50
Rot. Bonds8

About 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid

2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid (PubChem CID 154907400) has the molecular formula C19H38N4O6 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
PubChem CID154907400
Molecular FormulaC19H38N4O6
Molecular Weight418.54 g/mol
Exact Mass418.28
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid
SMILESCCN1CCN(CC(=O)NCC2CCCN(CCOC)C2)CC1.O=CO.O=CO
InChIInChI=1S/C17H34N4O2.2CH2O2/c1-3-19-7-9-21(10-8-19)15-17(22)18-13-16-5-4-6-20(14-16)11-12-23-2;2*2-1-3/h16H,3-15H2,1-2H3,(H,18,22);2*1H,(H,2,3)
InChIKeyAPDHYAZXHLQOLO-UHFFFAOYSA-N
XLogP-0.50
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
3-cyclobutyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 131900683
2-cyclopentyl-N-[(1-ethylpiperidin-3-yl)methyl]acetamide
CID 75418465
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
2-(3-hydroxy-1-adamantyl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide
CID 131911363
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 91836659
2-[(3S)-3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 129367244
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63848836
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid (CID 154907400) is 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid is CCN1CCN(CC(=O)NCC2CCCN(CCOC)C2)CC1.O=CO.O=CO.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?
The InChIKey is APDHYAZXHLQOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2.2CH2O2/c1-3-19-7-9-21(10-8-19)15-17(22)18-13-16-5-4-6-20(14-16)11-12-23-2;2*2-1-3/h16H,3-15H2,1-2H3,(H,18,22);2*1H,(H,2,3).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid?
2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid has a molecular weight of 418.54 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]acetamide;formic acid is sourced from PubChem (CID 154907400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).