2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C20H28N4O5 — CID 54822571

IUPAC2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCNC(=O)C2CC(=O)OCC(C)C)c1
InChIInChI=1S/C20H28N4O5/c1-13(2)12-29-19(27)10-17-20(28)21-7-8-24(17)11-18(26)23-16-6-4-5-15(9-16)22-14(3)25/h4-6,9,13,17H,7-8,10-12H2,1-3H3,(H,21,28)(H,22,25)(H,23,26)
InChIKeyHXRDLLZBMSNMSO-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.97
Rot. Bonds8

About 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 54822571) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID54822571
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(=O)Nc1cccc(NC(=O)CN2CCNC(=O)C2CC(=O)OCC(C)C)c1
InChIInChI=1S/C20H28N4O5/c1-13(2)12-29-19(27)10-17-20(28)21-7-8-24(17)11-18(26)23-16-6-4-5-15(9-16)22-14(3)25/h4-6,9,13,17H,7-8,10-12H2,1-3H3,(H,21,28)(H,22,25)(H,23,26)
InChIKeyHXRDLLZBMSNMSO-UHFFFAOYSA-N
XLogP0.97
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

2-methylpropyl 2-[1-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54824953
2-methylpropyl 2-[3-oxo-1-[2-oxo-2-[3-(2-phenylethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54822314
2-methylpropyl 2-[1-[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822442
2-methylpropyl 2-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822534
propyl 2-[1-[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819855
methyl 4-[[2-[2-[2-(2-methylpropoxy)-2-oxoethyl]-3-oxopiperazin-1-yl]acetyl]amino]benzoate
CID 54822665
2-methylpropyl 2-[3-oxo-1-[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]piperazin-2-yl]acetate
CID 54822312
2-methylpropyl 2-[1-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822241
2-methylpropyl 2-[1-[2-[4-(2-methoxyethylcarbamoyl)anilino]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54824984
2-methylpropyl 2-[1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822470
methyl 2-[1-[2-(3-iodoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 46820582
propyl 2-[1-[2-(3-methoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819589

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 54822571) is 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CC(=O)Nc1cccc(NC(=O)CN2CCNC(=O)C2CC(=O)OCC(C)C)c1.
What is the InChIKey of 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is HXRDLLZBMSNMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-13(2)12-29-19(27)10-17-20(28)21-7-8-24(17)11-18(26)23-16-6-4-5-15(9-16)22-14(3)25/h4-6,9,13,17H,7-8,10-12H2,1-3H3,(H,21,28)(H,22,25)(H,23,26).
What are the key properties of 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 404.47 g/mol, XLogP of 0.97, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[1-[2-(3-acetamidoanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 54822571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).