[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

C17H28N2O4 — CID 56803197

IUPAC[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2c(C)oc(C)c2C)CC1
InChIInChI=1S/C17H28N2O4/c1-5-22-11-15(20)10-18-6-8-19(9-7-18)17(21)16-12(2)13(3)23-14(16)4/h15,20H,5-11H2,1-4H3
InChIKeyNCJBFKBXLWSVAM-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.36
Rot. Bonds6

About [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone

[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 56803197) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID56803197
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2c(C)oc(C)c2C)CC1
InChIInChI=1S/C17H28N2O4/c1-5-22-11-15(20)10-18-6-8-19(9-7-18)17(21)16-12(2)13(3)23-14(16)4/h15,20H,5-11H2,1-4H3
InChIKeyNCJBFKBXLWSVAM-UHFFFAOYSA-N
XLogP1.36
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone (CID 56803197) is [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is CCOCC(O)CN1CCN(C(=O)c2c(C)oc(C)c2C)CC1.
What is the InChIKey of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is NCJBFKBXLWSVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-5-22-11-15(20)10-18-6-8-19(9-7-18)17(21)16-12(2)13(3)23-14(16)4/h15,20H,5-11H2,1-4H3.
What are the key properties of [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone?
[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 324.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 56803197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).