propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate

C18H26N2O5 — CID 54856610

IUPACpropan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)OC(=O)CC1C(=O)NCCN1CC(O)COc1ccccc1
InChIInChI=1S/C18H26N2O5/c1-13(2)25-17(22)10-16-18(23)19-8-9-20(16)11-14(21)12-24-15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12H2,1-2H3,(H,19,23)
InChIKeyQCQRDFABBZCSJI-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.57
Rot. Bonds8

About propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate

propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 54856610) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
PubChem CID54856610
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namepropan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
SMILESCC(C)OC(=O)CC1C(=O)NCCN1CC(O)COc1ccccc1
InChIInChI=1S/C18H26N2O5/c1-13(2)25-17(22)10-16-18(23)19-8-9-20(16)11-14(21)12-24-15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12H2,1-2H3,(H,19,23)
InChIKeyQCQRDFABBZCSJI-UHFFFAOYSA-N
XLogP0.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cyclohexyl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
CID 54856618
3-ethyl-4-(2-hydroxy-3-phenoxypropyl)piperazin-2-one
CID 111436423
propan-2-yl 2-[3-oxo-1-[4-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4952790
propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4955022
ethyl 2-[(2S)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetate
CID 7172640
2-methylpropyl 2-[3-oxo-1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54822312
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 26395842
2-[(2R)-1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 95719696
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
propan-2-yl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 54793418

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate (CID 54856610) is propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate is CC(C)OC(=O)CC1C(=O)NCCN1CC(O)COc1ccccc1.
What is the InChIKey of propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is QCQRDFABBZCSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-13(2)25-17(22)10-16-18(23)19-8-9-20(16)11-14(21)12-24-15-6-4-3-5-7-15/h3-7,13-14,16,21H,8-12H2,1-2H3,(H,19,23).
What are the key properties of propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate?
propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 350.42 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54856610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).