ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate

C22H30N4O5 — CID 124833202

IUPACethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H30N4O5/c1-2-31-22(30)16-7-6-11-25(14-16)15-20(28)26-12-10-23-21(29)18(26)13-19(27)24-17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3,(H,23,29)(H,24,27)/t16-,18-/m1/s1
InChIKeyCEUKNIIYXDBSGC-SJLPKXTDSA-N
MW430.51 g/mol
LogP0.62
Rot. Bonds7

About ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 124833202) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID124833202
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Nameethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1
InChIInChI=1S/C22H30N4O5/c1-2-31-22(30)16-7-6-11-25(14-16)15-20(28)26-12-10-23-21(29)18(26)13-19(27)24-17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3,(H,23,29)(H,24,27)/t16-,18-/m1/s1
InChIKeyCEUKNIIYXDBSGC-SJLPKXTDSA-N
XLogP0.62
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 41130879
ethyl 4-[2-[(2S)-2-[2-(4-bromoanilino)-2-oxoethyl]-3-oxopiperazin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 29111786
ethyl 4-[2-[(2S)-2-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 29161100
2-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 16653918
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
2-[(2S)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628872
N-(3-methylphenyl)-2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetamide
CID 2981146
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
N-(4-ethylphenyl)-2-[1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653833
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methylphenyl)acetamide
CID 16653945
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate (CID 124833202) is ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)Nc2ccccc2)C1.
What is the InChIKey of ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is CEUKNIIYXDBSGC-SJLPKXTDSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-2-31-22(30)16-7-6-11-25(14-16)15-20(28)26-12-10-23-21(29)18(26)13-19(27)24-17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3,(H,23,29)(H,24,27)/t16-,18-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[(2R)-2-(2-anilino-2-oxoethyl)-3-oxopiperazin-1-yl]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 124833202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).