benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

C24H28N2O5 — CID 4945449

IUPACbenzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O5/c1-17(2)15-30-21-11-7-6-10-19(21)24(29)26-13-12-25-23(28)20(26)14-22(27)31-16-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,25,28)
InChIKeySLENDLCCLWHIQJ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.80
Rot. Bonds8

About benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate

benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 4945449) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
PubChem CID4945449
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Namebenzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCc1ccccc1
InChIInChI=1S/C24H28N2O5/c1-17(2)15-30-21-11-7-6-10-19(21)24(29)26-13-12-25-23(28)20(26)14-22(27)31-16-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,25,28)
InChIKeySLENDLCCLWHIQJ-UHFFFAOYSA-N
XLogP2.80
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylbutyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 17079792
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
benzyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 4927877
benzyl 2-[1-[(2-hexoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 4942652
benzyl 2-[(2S)-1-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9297508
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate (CID 4945449) is benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is CC(C)COc1ccccc1C(=O)N1CCNC(=O)C1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is SLENDLCCLWHIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-17(2)15-30-21-11-7-6-10-19(21)24(29)26-13-12-25-23(28)20(26)14-22(27)31-16-18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3,(H,25,28).
What are the key properties of benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate?
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 424.50 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 4945449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).