tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane

C26H38N4O7 — CID 163267654

IUPACtert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane
SMILESCC.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C24H32N4O7.C2H6/c1-15-17(22(32)28(14-29)18-6-7-20(30)25-21(18)31)12-16(13-19(15)34-5)26-8-10-27(11-9-26)23(33)35-24(2,3)4;1-2/h12-14,18H,6-11H2,1-5H3,(H,25,30,31);1-2H3
InChIKeyFLAORKGWZZVXDA-UHFFFAOYSA-N
MW518.61 g/mol
LogP2.49
Rot. Bonds5

About tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane

tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane (PubChem CID 163267654) has the molecular formula C26H38N4O7 and a molecular weight of 518.61 g/mol. Its IUPAC name is tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane
PubChem CID163267654
Molecular FormulaC26H38N4O7
Molecular Weight518.61 g/mol
Exact Mass518.27
IUPAC Nametert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane
SMILESCC.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C
InChIInChI=1S/C24H32N4O7.C2H6/c1-15-17(22(32)28(14-29)18-6-7-20(30)25-21(18)31)12-16(13-19(15)34-5)26-8-10-27(11-9-26)23(33)35-24(2,3)4;1-2/h12-14,18H,6-11H2,1-5H3,(H,25,30,31);1-2H3
InChIKeyFLAORKGWZZVXDA-UHFFFAOYSA-N
XLogP2.49
TPSA125.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.61
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane 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

tert-butyl 4-(3,4-diformylphenyl)piperazine-1-carboxylate;3-(dimethylamino)piperidine-2,6-dione
CID 178099863
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-4-methylphenyl]piperazine-1-carboxylate
CID 170979417
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,4-dimethylbenzamide;ethane
CID 170953386
tert-butyl 6-[2-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenoxy]ethyl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 154672437
tert-butyl 4-[2-(dimethylamino)-3-[(2,6-dioxopiperidin-3-yl)-formylamino]phenyl]piperidine-1-carboxylate
CID 167009795
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperazine-1-carboxylate
CID 146573080
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperazine-1-carboxylate
CID 155438203
3-[2-(4-aminobutylamino)-2-oxoethoxy]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
CID 145229590
tert-butyl 4-[4-[4-(2,6-dioxopiperidin-3-yl)-3,5-difluorophenyl]-2-oxopiperazin-1-yl]piperidine-1-carboxylate
CID 170185752
[2-[[1-[4-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-3-methylphenyl]piperidin-4-yl]methyl]-2-azaspiro[3.5]nonan-7-yl] formate
CID 176695445
tert-butyl 4-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 167190323
tert-butyl 4-[2-(2,6-dioxopiperidin-3-yl)-4-methyl-1,3-dioxopyrrolo[3,4-b]indol-6-yl]piperazine-1-carboxylate
CID 170669672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane (CID 163267654) is tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane is CC.COc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc(C(=O)N(C=O)C2CCC(=O)NC2=O)c1C.
What is the InChIKey of tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane?
The InChIKey is FLAORKGWZZVXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O7.C2H6/c1-15-17(22(32)28(14-29)18-6-7-20(30)25-21(18)31)12-16(13-19(15)34-5)26-8-10-27(11-9-26)23(33)35-24(2,3)4;1-2/h12-14,18H,6-11H2,1-5H3,(H,25,30,31);1-2H3.
What are the key properties of tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane?
tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane has a molecular weight of 518.61 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-5-methoxy-4-methylphenyl]piperazine-1-carboxylate;ethane is sourced from PubChem (CID 163267654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).