2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one

C14H19N3O2 — CID 117407731

IUPAC2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccccc1CN1CCNCC1
InChIInChI=1S/C14H19N3O2/c18-14-5-10-19-17(14)13-4-2-1-3-12(13)11-16-8-6-15-7-9-16/h1-4,15H,5-11H2
InChIKeyWQJSCGDYLFLPCC-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.76
Rot. Bonds3

About 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one

2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one (PubChem CID 117407731) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
PubChem CID117407731
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccccc1CN1CCNCC1
InChIInChI=1S/C14H19N3O2/c18-14-5-10-19-17(14)13-4-2-1-3-12(13)11-16-8-6-15-7-9-16/h1-4,15H,5-11H2
InChIKeyWQJSCGDYLFLPCC-UHFFFAOYSA-N
XLogP0.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-aminopropyl)phenyl]-1,2-oxazolidin-3-one
CID 117314408
1-methyl-4-[2-(piperazin-1-ylmethyl)phenyl]piperazine-2,3-dione
CID 117487288
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
1-[[2-(4-phenylpiperidin-1-yl)phenyl]methyl]piperazine
CID 156786556
1-[[2-(triazol-1-yl)phenyl]methyl]piperazine
CID 117360479
2-ethyl-6-(piperazin-1-ylmethyl)aniline
CID 82509243
2-[[8-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139959109
1-[[2-(4-methylpyrazol-1-yl)phenyl]methyl]piperazine
CID 117394580
1-[[2-(2,2-difluoroethyl)phenyl]methyl]piperazine
CID 84701976
2-[4-(piperidin-4-ylmethyl)phenyl]-1,2-oxazolidin-3-one
CID 117405204
7-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117420237
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The IUPAC name of 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one (CID 117407731) is 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one is O=C1CCON1c1ccccc1CN1CCNCC1.
What is the InChIKey of 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
The InChIKey is WQJSCGDYLFLPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-14-5-10-19-17(14)13-4-2-1-3-12(13)11-16-8-6-15-7-9-16/h1-4,15H,5-11H2.
What are the key properties of 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one?
2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one has a molecular weight of 261.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperazin-1-ylmethyl)phenyl]-1,2-oxazolidin-3-one is sourced from PubChem (CID 117407731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).