(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

C14H22N2O6 — CID 175392726

IUPAC(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-13(19)21-11(17)15-6-4-10(5-7-15)16-8-9-20-12(16)18/h10H,4-9H2,1-3H3
InChIKeyUBHJQZQTPVFECR-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.97
Rot. Bonds1

About (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate

(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (PubChem CID 175392726) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
PubChem CID175392726
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)N1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C14H22N2O6/c1-14(2,3)22-13(19)21-11(17)15-6-4-10(5-7-15)16-8-9-20-12(16)18/h10H,4-9H2,1-3H3
InChIKeyUBHJQZQTPVFECR-UHFFFAOYSA-N
XLogP1.97
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[6-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]piperidine-1-carboxylate
CID 117274618
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
4-(2-oxo-1,3-oxazolidin-3-yl)-N-propylpiperidine-1-carboxamide
CID 110747077
tert-butyl 4-(4-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)piperidine-1-carboxylate
CID 58293623
tert-butyl (3S,4S)-3-methylsulfanyl-4-(2-oxo-1,3-oxazolidin-3-yl)pyrrolidine-1-carboxylate
CID 10590482
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
tert-butyl 4-(2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 53432568
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 18545171
tert-butyl 4-(4-cyano-2,3-dioxopiperidin-1-yl)piperidine-1-carboxylate
CID 71813991
1-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-thiophen-2-ylethane-1,2-dione
CID 3766535

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate (CID 175392726) is (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)OC(=O)N1CCC(N2CCOC2=O)CC1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
The InChIKey is UBHJQZQTPVFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-14(2,3)22-13(19)21-11(17)15-6-4-10(5-7-15)16-8-9-20-12(16)18/h10H,4-9H2,1-3H3.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate has a molecular weight of 314.34 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl 4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 175392726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).