1-(4-propan-2-yloxyphenyl)piperazin-2-one

C13H18N2O2 — CID 64567030

IUPAC1-(4-propan-2-yloxyphenyl)piperazin-2-one
SMILESCC(C)Oc1ccc(N2CCNCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)15-8-7-14-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3
InChIKeyIUGXJXUPTCCQQY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-propan-2-yloxyphenyl)piperazin-2-one

1-(4-propan-2-yloxyphenyl)piperazin-2-one (PubChem CID 64567030) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)piperazin-2-one
PubChem CID64567030
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(4-propan-2-yloxyphenyl)piperazin-2-one
SMILESCC(C)Oc1ccc(N2CCNCC2=O)cc1
InChIInChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)15-8-7-14-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3
InChIKeyIUGXJXUPTCCQQY-UHFFFAOYSA-N
XLogP1.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)piperazin-2-one?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)piperazin-2-one (CID 64567030) is 1-(4-propan-2-yloxyphenyl)piperazin-2-one.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)piperazin-2-one?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)piperazin-2-one is CC(C)Oc1ccc(N2CCNCC2=O)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)piperazin-2-one?
The InChIKey is IUGXJXUPTCCQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)17-12-5-3-11(4-6-12)15-8-7-14-9-13(15)16/h3-6,10,14H,7-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxyphenyl)piperazin-2-one?
1-(4-propan-2-yloxyphenyl)piperazin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)piperazin-2-one is sourced from PubChem (CID 64567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).