tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate

C19H26N2O4 — CID 143189497

IUPACtert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate
SMILESCc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c2c1C(=O)NC2
InChIInChI=1S/C19H26N2O4/c1-12-5-6-15(14-11-20-17(22)16(12)14)24-13-7-9-21(10-8-13)18(23)25-19(2,3)4/h5-6,13H,7-11H2,1-4H3,(H,20,22)
InChIKeyGQQZEOBPYYMXPO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.02
Rot. Bonds2

About tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate

tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate (PubChem CID 143189497) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate
PubChem CID143189497
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate
SMILESCc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c2c1C(=O)NC2
InChIInChI=1S/C19H26N2O4/c1-12-5-6-15(14-11-20-17(22)16(12)14)24-13-7-9-21(10-8-13)18(23)25-19(2,3)4/h5-6,13H,7-11H2,1-4H3,(H,20,22)
InChIKeyGQQZEOBPYYMXPO-UHFFFAOYSA-N
XLogP3.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]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-bromo-4-methylphenoxy)piperidine-1-carboxylate
CID 159393378
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 166611410
tert-butyl (3R)-3-(4-amino-2-methylphenoxy)pyrrolidine-1-carboxylate
CID 171624756
tert-butyl 4-[(2-methyl-7-nitro-1-oxo-3H-isoindol-4-yl)oxy]piperidine-1-carboxylate
CID 67037850
tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
CID 18542592
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
tert-butyl 4-[4-chloro-2-[(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]piperidine-1-carboxylate
CID 70204549
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 164529973
tert-butyl 4-(4-amino-2,3,5,6-tetradeuteriophenoxy)piperidine-1-carboxylate
CID 165111874
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060
tert-butyl 4-[4-(hydroxymethyl)phenoxy]piperidine-1-carboxylate
CID 22632413

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate (CID 143189497) is tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate is Cc1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c2c1C(=O)NC2.
What is the InChIKey of tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate?
The InChIKey is GQQZEOBPYYMXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12-5-6-15(14-11-20-17(22)16(12)14)24-13-7-9-21(10-8-13)18(23)25-19(2,3)4/h5-6,13H,7-11H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate?
tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(7-methyl-1-oxo-2,3-dihydroisoindol-4-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 143189497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).