4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one

C16H22N2O3 — CID 138808202

IUPAC4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(CCC2COCCO2)CCN1c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXDJFOOBCNSACCE-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.14
Rot. Bonds4

About 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one

4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one (PubChem CID 138808202) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
PubChem CID138808202
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
SMILESO=C1CN(CCC2COCCO2)CCN1c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2
InChIKeyXDJFOOBCNSACCE-UHFFFAOYSA-N
XLogP1.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one (CID 138808202) is 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one is O=C1CN(CCC2COCCO2)CCN1c1ccccc1.
What is the InChIKey of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
The InChIKey is XDJFOOBCNSACCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16-12-17(7-6-15-13-20-10-11-21-15)8-9-18(16)14-4-2-1-3-5-14/h1-5,15H,6-13H2.
What are the key properties of 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one?
4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one has a molecular weight of 290.36 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 138808202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).