tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate

C14H21NO4 — CID 139836504

IUPACtert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1C=COC1=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/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKBECDGKVYBCMDX-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.46
Rot. Bonds1

About tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate

tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate (PubChem CID 139836504) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate
PubChem CID139836504
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nametert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1C=COC1=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/h7,9-11H,4-6,8H2,1-3H3
InChIKeyKBECDGKVYBCMDX-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(2-oxo-3H-furan-3-yl)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 (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(oxiran-2-yl)piperidine-1-carboxylate
CID 102537761
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
tert-butyl 2-(2,6-dioxocyclohexyl)piperidine-1-carboxylate
CID 103845860
tert-butyl (2R)-2-trimethylsilylpiperidine-1-carboxylate
CID 11594083
tert-butyl 2-(2,4-dimethyl-6-oxocyclohexyl)piperidine-1-carboxylate
CID 103724103
tert-butyl 7-oxo-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepine-1-carboxylate
CID 83488863
tert-butyl 2-[2-(ethylamino)cyclohexyl]piperidine-1-carboxylate
CID 103724492
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 10704682
tert-butyl 2-[2-(ethylamino)cyclopentyl]piperidine-1-carboxylate
CID 79537863

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate (CID 139836504) is tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1C=COC1=O.
What is the InChIKey of tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate?
The InChIKey is KBECDGKVYBCMDX-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/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate?
tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate has a molecular weight of 267.32 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-oxo-3H-furan-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 139836504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).