2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone

C15H28N2O3 — CID 56781894

IUPAC2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)(O)CN1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,19)12-16-7-9-17(10-8-16)14(18)11-20-13-5-3-4-6-13/h13,19H,3-12H2,1-2H3
InChIKeyWQRFUYXRJTUVOT-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.86
Rot. Bonds5

About 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone

2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone (PubChem CID 56781894) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
PubChem CID56781894
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
SMILESCC(C)(O)CN1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C15H28N2O3/c1-15(2,19)12-16-7-9-17(10-8-16)14(18)11-20-13-5-3-4-6-13/h13,19H,3-12H2,1-2H3
InChIKeyWQRFUYXRJTUVOT-UHFFFAOYSA-N
XLogP0.86
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone (CID 56781894) is 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone is CC(C)(O)CN1CCN(C(=O)COC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
The InChIKey is WQRFUYXRJTUVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,19)12-16-7-9-17(10-8-16)14(18)11-20-13-5-3-4-6-13/h13,19H,3-12H2,1-2H3.
What are the key properties of 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone?
2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 56781894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).