[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

C16H29Cl2N5O4 — CID 119896150

IUPAC[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCCOC(C)c1noc(CN2CCN(C(=O)C3CNCCO3)CC2)n1.Cl.Cl
InChIInChI=1S/C16H27N5O4.2ClH/c1-3-23-12(2)15-18-14(25-19-15)11-20-5-7-21(8-6-20)16(22)13-10-17-4-9-24-13;;/h12-13,17H,3-11H2,1-2H3;2*1H
InChIKeyUMCZNEKDYSUYEX-UHFFFAOYSA-N
MW426.35 g/mol
LogP0.64
Rot. Bonds6

About [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride

[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (PubChem CID 119896150) has the molecular formula C16H29Cl2N5O4 and a molecular weight of 426.35 g/mol. Its IUPAC name is [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
PubChem CID119896150
Molecular FormulaC16H29Cl2N5O4
Molecular Weight426.35 g/mol
Exact Mass425.16
IUPAC Name[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
SMILESCCOC(C)c1noc(CN2CCN(C(=O)C3CNCCO3)CC2)n1.Cl.Cl
InChIInChI=1S/C16H27N5O4.2ClH/c1-3-23-12(2)15-18-14(25-19-15)11-20-5-7-21(8-6-20)16(22)13-10-17-4-9-24-13;;/h12-13,17H,3-11H2,1-2H3;2*1H
InChIKeyUMCZNEKDYSUYEX-UHFFFAOYSA-N
XLogP0.64
TPSA92.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride (CID 119896150) is [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is CCOC(C)c1noc(CN2CCN(C(=O)C3CNCCO3)CC2)n1.Cl.Cl.
What is the InChIKey of [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
The InChIKey is UMCZNEKDYSUYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4.2ClH/c1-3-23-12(2)15-18-14(25-19-15)11-20-5-7-21(8-6-20)16(22)13-10-17-4-9-24-13;;/h12-13,17H,3-11H2,1-2H3;2*1H.
What are the key properties of [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride?
[4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride has a molecular weight of 426.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119896150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).