tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate

C20H28N2O5 — CID 167218126

IUPACtert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OC2CCN(OC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)26-19(24)21-13-17(14-21)25-16-9-11-22(12-10-16)27-18(23)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3
InChIKeyLFKNTVYFFKMZES-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.86
Rot. Bonds4

About tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate

tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate (PubChem CID 167218126) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate
PubChem CID167218126
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(OC2CCN(OC(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C20H28N2O5/c1-20(2,3)26-19(24)21-13-17(14-21)25-16-9-11-22(12-10-16)27-18(23)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3
InChIKeyLFKNTVYFFKMZES-UHFFFAOYSA-N
XLogP2.86
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(1-benzoyloxyazetidin-3-yl)piperazine-1-carboxylate
CID 163839766
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxypiperidine-1-carboxylate
CID 167488852
tert-butyl 2-benzoyloxy-2,6-diazaspiro[3.3]heptane-6-carboxylate
CID 178145170
tert-butyl (3S)-3-benzoylsulfanylpyrrolidine-1-carboxylate
CID 54255265
tert-butyl 3-[1-(4-methoxycarbonylphenyl)piperidin-4-yl]oxypyrrolidine-1-carboxylate
CID 155212132
tert-butyl 4-benzoyloxy-3-methylpiperidine-1-carboxylate
CID 129278133
tert-butyl 3-benzoyloxy-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
CID 170423570
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 3-(3-oxocyclobutyl)oxyazetidine-1-carboxylate
CID 162516738
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl (1R,6S)-9-benzoyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 11558996
tert-butyl 3-[(4-phenylphenyl)methoxy]pyrrolidine-1-carboxylate
CID 68530859

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate (CID 167218126) is tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(OC2CCN(OC(=O)c3ccccc3)CC2)C1.
What is the InChIKey of tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate?
The InChIKey is LFKNTVYFFKMZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-20(2,3)26-19(24)21-13-17(14-21)25-16-9-11-22(12-10-16)27-18(23)15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3.
What are the key properties of tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate?
tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-benzoyloxypiperidin-4-yl)oxyazetidine-1-carboxylate is sourced from PubChem (CID 167218126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).