2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C17H34N4O2 — CID 170363841

IUPAC2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCOCCN1CC(C)N(CC(=O)N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C17H34N4O2/c1-5-23-11-10-19-12-15(2)21(16(3)13-19)14-17(22)20-8-6-18(4)7-9-20/h15-16H,5-14H2,1-4H3
InChIKeyFOHNJEQZCZPSFE-UHFFFAOYSA-N
MW326.49 g/mol
LogP0.19
Rot. Bonds6

About 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 170363841) has the molecular formula C17H34N4O2 and a molecular weight of 326.49 g/mol. Its IUPAC name is 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID170363841
Molecular FormulaC17H34N4O2
Molecular Weight326.49 g/mol
Exact Mass326.27
IUPAC Name2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCCOCCN1CC(C)N(CC(=O)N2CCN(C)CC2)C(C)C1
InChIInChI=1S/C17H34N4O2/c1-5-23-11-10-19-12-15(2)21(16(3)13-19)14-17(22)20-8-6-18(4)7-9-20/h15-16H,5-14H2,1-4H3
InChIKeyFOHNJEQZCZPSFE-UHFFFAOYSA-N
XLogP0.19
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dimorpholinoethanone
CID 242924
Morpholinium, 4,4'-(1,4-piperazinediylbis(1-oxopropylene))bis(4-methyl-, diiodide
CID 199521
Morpholinium, 4-methyl-4-(1-methyl-2-(4-(3-(4-methylmorpholinium-4-yl)-1-oxopropyl)-1-piperazinyl)-2-oxoethyl)-, diiodide
CID 24840361
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
1-[4-(2-Methylpropyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 45803767
1-(Morpholin-4-yl)-2-(piperazin-1-yl)propan-1-one
CID 16769381
2-(2,5-Dimethylmorpholin-4-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 45811018
3,3-dimethyl-4-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1-propylpiperazin-2-one
CID 99837364
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
CID 102562548
(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide
CID 164637206
1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
CID 141160123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 170363841) is 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CCOCCN1CC(C)N(CC(=O)N2CCN(C)CC2)C(C)C1.
What is the InChIKey of 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FOHNJEQZCZPSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O2/c1-5-23-11-10-19-12-15(2)21(16(3)13-19)14-17(22)20-8-6-18(4)7-9-20/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 326.49 g/mol, XLogP of 0.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyethyl)-2,6-dimethylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170363841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).