benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate

C23H26N2O5 — CID 4960076

IUPACbenzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOc1cccc(C(=O)N2CCNC(=O)C2CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H26N2O5/c1-2-13-29-19-10-6-9-18(14-19)23(28)25-12-11-24-22(27)20(25)15-21(26)30-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3,(H,24,27)
InChIKeyGMXPMDCOJGJSOC-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.55
Rot. Bonds8

About benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate

benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate (PubChem CID 4960076) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
PubChem CID4960076
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namebenzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
SMILESCCCOc1cccc(C(=O)N2CCNC(=O)C2CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H26N2O5/c1-2-13-29-19-10-6-9-18(14-19)23(28)25-12-11-24-22(27)20(25)15-21(26)30-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3,(H,24,27)
InChIKeyGMXPMDCOJGJSOC-UHFFFAOYSA-N
XLogP2.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxyethyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960091
2-phenylethyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9294257
2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4956556
2-phenylethyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4981763
propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4955022
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
2-methoxyethyl 2-[1-[3-(2-methylprop-2-enoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17133110
2-phenylethyl 2-[1-(4-hexoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4933759
2-phenylethyl 2-[1-(4-heptoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4950718
2-phenoxyethyl 2-[1-(3-bromo-4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073808

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate (CID 4960076) is benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate is CCCOc1cccc(C(=O)N2CCNC(=O)C2CC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate?
The InChIKey is GMXPMDCOJGJSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-13-29-19-10-6-9-18(14-19)23(28)25-12-11-24-22(27)20(25)15-21(26)30-16-17-7-4-3-5-8-17/h3-10,14,20H,2,11-13,15-16H2,1H3,(H,24,27).
What are the key properties of benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate?
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate has a molecular weight of 410.47 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 4960076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).