1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

C18H36N4O2 — CID 170371804

IUPAC1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)CN2CCN(CCCOC(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-4-19-11-13-22(14-12-19)18(23)16-21-9-7-20(8-10-21)6-5-15-24-17(2)3/h17H,4-16H2,1-3H3
InChIKeyWJQXFUPPIWZLEU-UHFFFAOYSA-N
MW340.51 g/mol
LogP0.58
Rot. Bonds8

About 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (PubChem CID 170371804) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
PubChem CID170371804
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
SMILESCCN1CCN(C(=O)CN2CCN(CCCOC(C)C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-4-19-11-13-22(14-12-19)18(23)16-21-9-7-20(8-10-21)6-5-15-24-17(2)3/h17H,4-16H2,1-3H3
InChIKeyWJQXFUPPIWZLEU-UHFFFAOYSA-N
XLogP0.58
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone (CID 170371804) is 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is CCN1CCN(C(=O)CN2CCN(CCCOC(C)C)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
The InChIKey is WJQXFUPPIWZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-4-19-11-13-22(14-12-19)18(23)16-21-9-7-20(8-10-21)6-5-15-24-17(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone has a molecular weight of 340.51 g/mol, XLogP of 0.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 170371804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).