2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

C23H26N2O6 — CID 54790619

IUPAC2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2CC(=O)OCCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H26N2O6/c1-29-17-8-9-18(20(14-17)30-2)23(28)25-12-11-24-22(27)19(25)15-21(26)31-13-10-16-6-4-3-5-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyZTMQKYQXWGXDCW-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.82
Rot. Bonds8

About 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 54790619) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID54790619
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2CC(=O)OCCc2ccccc2)c(OC)c1
InChIInChI=1S/C23H26N2O6/c1-29-17-8-9-18(20(14-17)30-2)23(28)25-12-11-24-22(27)19(25)15-21(26)31-13-10-16-6-4-3-5-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyZTMQKYQXWGXDCW-UHFFFAOYSA-N
XLogP1.82
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylethyl 2-[(2R)-1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 42426988
2-methylpropyl 2-[3-oxo-1-[2-(2-phenylethoxy)benzoyl]piperazin-2-yl]acetate
CID 19628199
2-phenylethyl 2-[(2S)-1-(3-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9294257
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
3-phenylpropyl 2-[1-[5-bromo-2-(2-methoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17357291
2-phenylethyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083206
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-phenylethyl 2-[1-[3-(3-methylbutoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4981763
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
2-phenylethyl 2-[3-oxo-1-[[4-(2-phenylethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate
CID 4956980

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate (CID 54790619) is 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate is COc1ccc(C(=O)N2CCNC(=O)C2CC(=O)OCCc2ccccc2)c(OC)c1.
What is the InChIKey of 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is ZTMQKYQXWGXDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-29-17-8-9-18(20(14-17)30-2)23(28)25-12-11-24-22(27)19(25)15-21(26)31-13-10-16-6-4-3-5-7-16/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 426.47 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54790619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).