ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate

C22H30N4O4 — CID 45208259

IUPACethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2C(=O)NCCN2C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H30N4O4/c1-2-30-22(29)25-11-9-24(10-12-25)20(27)15-19-21(28)23-7-8-26(19)18-13-16-5-3-4-6-17(16)14-18/h3-6,18-19H,2,7-15H2,1H3,(H,23,28)
InChIKeyMBGRURZUAWNJOB-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.64
Rot. Bonds4

About ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate (PubChem CID 45208259) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
PubChem CID45208259
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Nameethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC2C(=O)NCCN2C2Cc3ccccc3C2)CC1
InChIInChI=1S/C22H30N4O4/c1-2-30-22(29)25-11-9-24(10-12-25)20(27)15-19-21(28)23-7-8-26(19)18-13-16-5-3-4-6-17(16)14-18/h3-6,18-19H,2,7-15H2,1H3,(H,23,28)
InChIKeyMBGRURZUAWNJOB-UHFFFAOYSA-N
XLogP0.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate 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

4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
4-(2,3-dihydro-1H-inden-2-yl)-3-[2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 45210614
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(3-methylpentan-3-yl)acetamide
CID 56895438
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(2-propoxyethyl)acetamide
CID 56914471
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide
CID 56901016
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42190859
ethyl 4-[2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 45220215
2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518471
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 42518473
ethyl 4-[2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 25381314
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 45213936
2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 25375478

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate (CID 45208259) is ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC2C(=O)NCCN2C2Cc3ccccc3C2)CC1.
What is the InChIKey of ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is MBGRURZUAWNJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-2-30-22(29)25-11-9-24(10-12-25)20(27)15-19-21(28)23-7-8-26(19)18-13-16-5-3-4-6-17(16)14-18/h3-6,18-19H,2,7-15H2,1H3,(H,23,28).
What are the key properties of ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 414.51 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 45208259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).