tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate

C24H34N4O5 — CID 166553640

IUPACtert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C24H34N4O5/c1-15-12-27(23(32)33-24(3,4)5)13-16(2)28(15)14-21(30)25-18-8-6-7-17(11-18)19-9-10-20(29)26-22(19)31/h6-8,11,15-16,19H,9-10,12-14H2,1-5H3,(H,25,30)(H,26,29,31)/t15-,16+,19?
InChIKeyIWTHLBOSXSDYKN-MCPYQZEQSA-N
MW458.56 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate

tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate (PubChem CID 166553640) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
PubChem CID166553640
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Nametert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate
SMILESC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1
InChIInChI=1S/C24H34N4O5/c1-15-12-27(23(32)33-24(3,4)5)13-16(2)28(15)14-21(30)25-18-8-6-7-17(11-18)19-9-10-20(29)26-22(19)31/h6-8,11,15-16,19H,9-10,12-14H2,1-5H3,(H,25,30)(H,26,29,31)/t15-,16+,19?
InChIKeyIWTHLBOSXSDYKN-MCPYQZEQSA-N
XLogP2.47
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-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

2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)phenyl]acetamide;hydrobromide
CID 166553748
tert-butyl N-[4-[3-(2,6-dioxopiperidin-3-yl)anilino]butyl]carbamate
CID 164540922
tert-butyl N-[5-[3-(2,6-dioxopiperidin-3-yl)anilino]pentyl]carbamate
CID 164540949
tert-butyl 6-[3-(2,6-dioxopiperidin-3-yl)phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979336
2-[(2S,6R)-2,6-dimethyl-4-propylpiperazin-1-yl]-N-[3-[[(3S)-2,6-dioxopiperidin-3-yl]amino]phenyl]acetamide
CID 170042265
N-[3-(2,6-dioxopiperidin-3-yl)phenyl]-N',N'-di(propan-2-yl)heptanediamide
CID 176689408
tert-butyl 8-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164540869
tert-butyl 6-[3-(2,7-dioxoazepan-3-yl)anilino]hexanoate
CID 175638791
tert-butyl 7-(2,6-dioxopiperidin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 166113222
tert-butyl 4-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]azetidin-1-yl]piperidine-1-carboxylate
CID 177362869
2-(4-tert-butylpiperidin-1-yl)-N-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]acetamide
CID 162504384
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate (CID 166553640) is tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate is C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1CC(=O)Nc1cccc(C2CCC(=O)NC2=O)c1.
What is the InChIKey of tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate?
The InChIKey is IWTHLBOSXSDYKN-MCPYQZEQSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-15-12-27(23(32)33-24(3,4)5)13-16(2)28(15)14-21(30)25-18-8-6-7-17(11-18)19-9-10-20(29)26-22(19)31/h6-8,11,15-16,19H,9-10,12-14H2,1-5H3,(H,25,30)(H,26,29,31)/t15-,16+,19?.
What are the key properties of tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate?
tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate has a molecular weight of 458.56 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-4-[2-[3-(2,6-dioxopiperidin-3-yl)anilino]-2-oxoethyl]-3,5-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 166553640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).