tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate

C25H30N2O5 — CID 52775307

IUPACtert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCOc1cc2c(cc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)oc1ccccc12
InChIInChI=1S/C25H30N2O5/c1-25(2,3)32-24(29)27-11-9-16(10-12-27)13-23(28)26-19-15-21-18(14-22(19)30-4)17-7-5-6-8-20(17)31-21/h5-8,14-16H,9-13H2,1-4H3,(H,26,28)
InChIKeyIXBXAOKWZDVQDQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP5.57
Rot. Bonds4

About tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 52775307) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID52775307
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Nametert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate
SMILESCOc1cc2c(cc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)oc1ccccc12
InChIInChI=1S/C25H30N2O5/c1-25(2,3)32-24(29)27-11-9-16(10-12-27)13-23(28)26-19-15-21-18(14-22(19)30-4)17-7-5-6-8-20(17)31-21/h5-8,14-16H,9-13H2,1-4H3,(H,26,28)
InChIKeyIXBXAOKWZDVQDQ-UHFFFAOYSA-N
XLogP5.57
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

2,2,2-trifluoroethyl 4-[(2-methoxydibenzofuran-3-yl)carbamoyl]piperidine-1-carboxylate
CID 46680459
2-cyclopent-2-en-1-yl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 46820829
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
N-(1-acetylpiperidin-4-yl)-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 86910638
N-(2-methoxydibenzofuran-3-yl)-7-methyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 119037539
[2-(tert-butylamino)-2-oxoethyl]-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8766963
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
tert-butyl 4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52774608
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 7962349
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8892864

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate (CID 52775307) is tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate is COc1cc2c(cc1NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)oc1ccccc12.
What is the InChIKey of tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is IXBXAOKWZDVQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-25(2,3)32-24(29)27-11-9-16(10-12-27)13-23(28)26-19-15-21-18(14-22(19)30-4)17-7-5-6-8-20(17)31-21/h5-8,14-16H,9-13H2,1-4H3,(H,26,28).
What are the key properties of tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 438.52 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 52775307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).