bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone

C17H34N4O3 — CID 174257075

IUPACbis(4-ethoxy-1-ethylpiperazin-2-yl)methanone
SMILESCCON1CCN(CC)C(C(=O)C2CN(OCC)CCN2CC)C1
InChIInChI=1S/C17H34N4O3/c1-5-18-9-11-20(23-7-3)13-15(18)17(22)16-14-21(24-8-4)12-10-19(16)6-2/h15-16H,5-14H2,1-4H3
InChIKeyDODULPBJKKXWDJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP0.47
Rot. Bonds8

About bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone

bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone (PubChem CID 174257075) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone.

Molecular Properties

Compound Namebis(4-ethoxy-1-ethylpiperazin-2-yl)methanone
PubChem CID174257075
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Namebis(4-ethoxy-1-ethylpiperazin-2-yl)methanone
SMILESCCON1CCN(CC)C(C(=O)C2CN(OCC)CCN2CC)C1
InChIInChI=1S/C17H34N4O3/c1-5-18-9-11-20(23-7-3)13-15(18)17(22)16-14-21(24-8-4)12-10-19(16)6-2/h15-16H,5-14H2,1-4H3
InChIKeyDODULPBJKKXWDJ-UHFFFAOYSA-N
XLogP0.47
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,4-diethoxy-2-ethylpiperazine
CID 175823545
1-O-tert-butyl 3-O-methyl (3R)-4-ethylpiperazine-1,3-dicarboxylate
CID 124705348
1-ethoxyaziridine-2-carboxamide
CID 533738
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
2-ethoxy-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 64590973
1-ethyl-4-prop-2-enoxycarbonylpiperazine-2-carboxylic acid
CID 167729197
CID 66737893
CID 66737893
methyl 1,4-diethylpyrrolidine-2-carboxylate
CID 91166358
ethyl 1-(2-ethoxy-2-oxoethyl)aziridine-2-carboxylate
CID 2851731
bis(3-ethoxy-1,3-oxazolidin-2-yl)methanone
CID 175298941
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
ethyl 1-methoxyazetidine-2-carboxylate
CID 559398

Frequently Asked Questions

What is the IUPAC name of bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone?
The IUPAC name of bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone (CID 174257075) is bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone.
What is the SMILES notation for bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone?
The canonical SMILES for bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone is CCON1CCN(CC)C(C(=O)C2CN(OCC)CCN2CC)C1.
What is the InChIKey of bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone?
The InChIKey is DODULPBJKKXWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-5-18-9-11-20(23-7-3)13-15(18)17(22)16-14-21(24-8-4)12-10-19(16)6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone?
bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone has a molecular weight of 342.48 g/mol, XLogP of 0.47, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethoxy-1-ethylpiperazin-2-yl)methanone is sourced from PubChem (CID 174257075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).