propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate

C24H28N2O6 — CID 4955022

IUPACpropan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
SMILESCC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C24H28N2O6/c1-17(2)32-22(27)16-21-23(28)25-11-12-26(21)24(29)18-7-6-10-20(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyRKMUZAMMSCWTGJ-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.43
Rot. Bonds9

About propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate

propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate (PubChem CID 4955022) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
PubChem CID4955022
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Namepropan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
SMILESCC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OCCOc2ccccc2)c1
InChIInChI=1S/C24H28N2O6/c1-17(2)32-22(27)16-21-23(28)25-11-12-26(21)24(29)18-7-6-10-20(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyRKMUZAMMSCWTGJ-UHFFFAOYSA-N
XLogP2.43
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[3-oxo-1-[4-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4952790
2-phenoxyethyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960091
2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4956556
2-phenylethyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9294257
2-phenylethyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4981763
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076
propan-2-yl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933705
2-methoxyethyl 2-[1-[3-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17133110
propan-2-yl 2-[1-[3-bromo-4-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 54793418
2-phenoxyethyl 2-[1-(3-bromo-4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073808
2-phenoxyethyl 2-[1-[3-bromo-4-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17356407
propan-2-yl 2-[1-(2-hydroxy-3-phenoxypropyl)-3-oxopiperazin-2-yl]acetate
CID 54856610

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate (CID 4955022) is propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate is CC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1cccc(OCCOc2ccccc2)c1.
What is the InChIKey of propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate?
The InChIKey is RKMUZAMMSCWTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-17(2)32-22(27)16-21-23(28)25-11-12-26(21)24(29)18-7-6-10-20(15-18)31-14-13-30-19-8-4-3-5-9-19/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,25,28).
What are the key properties of propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate?
propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate has a molecular weight of 440.50 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate is sourced from PubChem (CID 4955022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).