tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate

C14H21NO4 — CID 54073510

IUPACtert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1=CCOC1=O
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-8-5-4-6-11(15)10-7-9-18-12(10)16/h7,11H,4-6,8-9H2,1-3H3
InChIKeyMICJGHQFDFQGMS-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate

tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate (PubChem CID 54073510) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate
PubChem CID54073510
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1=CCOC1=O
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-8-5-4-6-11(15)10-7-9-18-12(10)16/h7,11H,4-6,8-9H2,1-3H3
InChIKeyMICJGHQFDFQGMS-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ecgonidine ethyl ester
CID 25222744
Ethyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
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8-Tert-butyl 2-methyl 8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 10221000
ethyl (9aR)-4,6,7,8,9,9a-hexahydro-3H-quinolizine-1-carboxylate
CID 12319223
Methyl 2-(2-methoxycarbonylcyclohexen-1-yl)-2,5-dihydropyrrole-1-carboxylate
CID 135001411
Tert-butyl 4-[2-(methoxycarbonyl)cyclopent-1-en-1-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 168475084
t-Butyl 4-[2-(ethoxycarbonyl)cyclohex-1-en-1-yl]-3,6-dihydropyridine-1(2h)-carboxylate
CID 168475113
9-O-tert-Butyl 5-O-methyl 9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
CID 180350
O9-tert-Butyl O5-methyl (6R)-9-azabicyclo(4.2.1)non-4-ene-5,9-dicarboxylate
CID 180404
Ethyl 1,3,4,6,7,9a-hexahydro-2H-quinolizine-9-carboxylate
CID 12319222
O8-tert-butyl O2-methyl (1R,5S)-8-azabicyclo[3.2.1]oct-2-ene-2,8-dicarboxylate
CID 10825727
8-O-Tert-butyl 3-O-methyl 8-azabicyclo[3.2.1]oct-2-ene-3,8-dicarboxylate
CID 21132365

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate (CID 54073510) is tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1=CCOC1=O.
What is the InChIKey of tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate?
The InChIKey is MICJGHQFDFQGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-13(17)15-8-5-4-6-11(15)10-7-9-18-12(10)16/h7,11H,4-6,8-9H2,1-3H3.
What are the key properties of tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate?
tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-oxo-2H-furan-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 54073510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).