tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate

C20H26N2O7 — CID 135242997

IUPACtert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOc2ccc3c(c2)C(=O)N(O)C3=O)CC1
InChIInChI=1S/C20H26N2O7/c1-20(2,3)29-19(25)21-8-6-13(7-9-21)27-10-11-28-14-4-5-15-16(12-14)18(24)22(26)17(15)23/h4-5,12-13,26H,6-11H2,1-3H3
InChIKeyPFKOVTWKPFGOOP-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.47
Rot. Bonds5

About tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate

tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate (PubChem CID 135242997) has the molecular formula C20H26N2O7 and a molecular weight of 406.44 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate
PubChem CID135242997
Molecular FormulaC20H26N2O7
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Nametert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OCCOc2ccc3c(c2)C(=O)N(O)C3=O)CC1
InChIInChI=1S/C20H26N2O7/c1-20(2,3)29-19(25)21-8-6-13(7-9-21)27-10-11-28-14-4-5-15-16(12-14)18(24)22(26)17(15)23/h4-5,12-13,26H,6-11H2,1-3H3
InChIKeyPFKOVTWKPFGOOP-UHFFFAOYSA-N
XLogP2.47
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-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

tert-butyl 4-[2-[2-[2-[2-[2-[2-[2-(3-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171082302
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331
tert-butyl 4-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperazine-1-carboxylate
CID 156820716
tert-butyl 4-[7-(1,3-dioxoisoindol-2-yl)heptoxy]piperidine-1-carboxylate
CID 171081497
tert-butyl 4-[2-(2-fluoro-3-hydroxyphenoxy)ethoxy]piperidine-1-carboxylate
CID 171083364
tert-butyl (3S)-3-[2-(3-cyanophenoxy)ethoxy]pyrrolidine-1-carboxylate
CID 155752114
tert-butyl 4-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 171081523
tert-butyl 4-[2-(3,4-dinitrophenoxy)ethyl]piperidine-1-carboxylate
CID 86612986
tert-butyl 4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 155783169
tert-butyl 3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]azetidine-1-carboxylate
CID 171572268
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyethoxy]acetic acid
CID 139578894
tert-butyl 4-[2-[4-[2-[amino(methyl)amino]-5-methoxycarbonyl-3-methylphenoxy]phenoxy]ethoxy]piperidine-1-carboxylate;ethane
CID 177176296

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate (CID 135242997) is tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OCCOc2ccc3c(c2)C(=O)N(O)C3=O)CC1.
What is the InChIKey of tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate?
The InChIKey is PFKOVTWKPFGOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O7/c1-20(2,3)29-19(25)21-8-6-13(7-9-21)27-10-11-28-14-4-5-15-16(12-14)18(24)22(26)17(15)23/h4-5,12-13,26H,6-11H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate has a molecular weight of 406.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-hydroxy-1,3-dioxoisoindol-5-yl)oxyethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 135242997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).