benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

C23H26N2O5 — CID 40768017

IUPACbenzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCc1cc(C)cc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H26N2O5/c1-16-10-17(2)12-19(11-16)29-15-21(26)25-9-8-24-23(28)20(25)13-22(27)30-14-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyRMIQULQHLGFRKV-HXUWFJFHSA-N
MW410.47 g/mol
LogP2.14
Rot. Bonds7

About benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate

benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 40768017) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
PubChem CID40768017
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Namebenzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILESCc1cc(C)cc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C23H26N2O5/c1-16-10-17(2)12-19(11-16)29-15-21(26)25-9-8-24-23(28)20(25)13-22(27)30-14-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,24,28)/t20-/m1/s1
InChIKeyRMIQULQHLGFRKV-HXUWFJFHSA-N
XLogP2.14
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dodecyl 2-[1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17086289
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
benzyl 2-[1-[2-(2-bromo-4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 17350142
ethyl 2-[1-[2-(4-tert-butylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
CID 4944950
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076
benzyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 4927877
3-methylbutyl 2-[1-(2-naphthalen-2-yloxyacetyl)-3-oxopiperazin-2-yl]acetate
CID 17079709
benzyl 2-[(2S)-1-[(2S)-2-(2,6-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9297508
2-phenoxyethyl 2-[1-[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]-3-oxopiperazin-2-yl]acetate
CID 17093272
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
benzyl 2-[(2R)-1-[(2R)-2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 9236802
benzyl 2-[1-[2-(4-ethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 4953360

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate (CID 40768017) is benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is Cc1cc(C)cc(OCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is RMIQULQHLGFRKV-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-16-10-17(2)12-19(11-16)29-15-21(26)25-9-8-24-23(28)20(25)13-22(27)30-14-18-6-4-3-5-7-18/h3-7,10-12,20H,8-9,13-15H2,1-2H3,(H,24,28)/t20-/m1/s1.
What are the key properties of benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate?
benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 410.47 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2R)-1-[2-(3,5-dimethylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 40768017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).