tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate

C20H28N2O3 — CID 84584797

IUPACtert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCN(C(=O)C1Cc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-11-9-15(10-12-22)21(4)18(23)17-13-14-7-5-6-8-16(14)17/h5-8,15,17H,9-13H2,1-4H3
InChIKeyFADOUDLLFLSBMY-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate

tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 84584797) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
PubChem CID84584797
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Nametert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCN(C(=O)C1Cc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-11-9-15(10-12-22)21(4)18(23)17-13-14-7-5-6-8-16(14)17/h5-8,15,17H,9-13H2,1-4H3
InChIKeyFADOUDLLFLSBMY-UHFFFAOYSA-N
XLogP3.18
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
tert-butyl 4-[2,3-dihydro-1H-inden-1-yl(methyl)carbamoyl]piperidine-1-carboxylate
CID 42941581
tert-butyl 4-[methyl-[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]piperidine-1-carboxylate
CID 97317307
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
(4S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 96968919
N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102634428
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861
tert-butyl 4-(4-chloro-N-methylanilino)piperidine-1-carboxylate
CID 169123222

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate (CID 84584797) is tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate is CN(C(=O)C1Cc2ccccc21)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is FADOUDLLFLSBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-20(2,3)25-19(24)22-11-9-15(10-12-22)21(4)18(23)17-13-14-7-5-6-8-16(14)17/h5-8,15,17H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 84584797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).