[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone

C14H27N3O3 — CID 110290238

IUPAC[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOCCN1C(C)CN(C(=O)N2CCOCC2)CC1C
InChIInChI=1S/C14H27N3O3/c1-12-10-16(11-13(2)17(12)6-7-19-3)14(18)15-4-8-20-9-5-15/h12-13H,4-11H2,1-3H3
InChIKeyWGJSQUFCSBUTDJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.48
Rot. Bonds3

About [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone

[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 110290238) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID110290238
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone
SMILESCOCCN1C(C)CN(C(=O)N2CCOCC2)CC1C
InChIInChI=1S/C14H27N3O3/c1-12-10-16(11-13(2)17(12)6-7-19-3)14(18)15-4-8-20-9-5-15/h12-13H,4-11H2,1-3H3
InChIKeyWGJSQUFCSBUTDJ-UHFFFAOYSA-N
XLogP0.48
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone (CID 110290238) is [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone is COCCN1C(C)CN(C(=O)N2CCOCC2)CC1C.
What is the InChIKey of [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WGJSQUFCSBUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-12-10-16(11-13(2)17(12)6-7-19-3)14(18)15-4-8-20-9-5-15/h12-13H,4-11H2,1-3H3.
What are the key properties of [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone?
[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 285.39 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110290238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).