3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one

C15H22N2O3 — CID 111436423

IUPAC3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(O)COc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-14-15(19)16-8-9-17(14)10-12(18)11-20-13-6-4-3-5-7-13/h3-7,12,14,18H,2,8-11H2,1H3,(H,16,19)
InChIKeyVLIPQEMQCPUQMA-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.64
Rot. Bonds6

About 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one

3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one (PubChem CID 111436423) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
PubChem CID111436423
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
SMILESCCC1C(=O)NCCN1CC(O)COc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-14-15(19)16-8-9-17(14)10-12(18)11-20-13-6-4-3-5-7-13/h3-7,12,14,18H,2,8-11H2,1H3,(H,16,19)
InChIKeyVLIPQEMQCPUQMA-UHFFFAOYSA-N
XLogP0.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
CID 54856610
cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
CID 54856618
4-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-3-ethylpiperazin-2-one
CID 111436425
4-[2-(2-aminophenyl)-2-hydroxyethyl]-3-ethylpiperazin-2-one
CID 63600937
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
4-[3-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]benzonitrile
CID 86952146
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-2-one
CID 24594917
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
3-ethyl-4-(2-oxo-3-phenylpropyl)piperazin-2-one
CID 63602203
4-[2-(4-bromophenoxy)ethyl]-3-ethylpiperazin-2-one
CID 63601043
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one?
The IUPAC name of 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one (CID 111436423) is 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one?
The canonical SMILES for 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one is CCC1C(=O)NCCN1CC(O)COc1ccccc1.
What is the InChIKey of 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one?
The InChIKey is VLIPQEMQCPUQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-14-15(19)16-8-9-17(14)10-12(18)11-20-13-6-4-3-5-7-13/h3-7,12,14,18H,2,8-11H2,1H3,(H,16,19).
What are the key properties of 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one?
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one has a molecular weight of 278.35 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one is sourced from PubChem (CID 111436423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).