(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate

C12H19NO5 — CID 118339199

IUPAC(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate
SMILESCOC(=O)CC(C)(C)OC(=O)N1CCCCC1=O
InChIInChI=1S/C12H19NO5/c1-12(2,8-10(15)17-3)18-11(16)13-7-5-4-6-9(13)14/h4-8H2,1-3H3
InChIKeyRRDWMWQCDJQKCC-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.48
Rot. Bonds3

About (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate

(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate (PubChem CID 118339199) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Name(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate
PubChem CID118339199
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate
SMILESCOC(=O)CC(C)(C)OC(=O)N1CCCCC1=O
InChIInChI=1S/C12H19NO5/c1-12(2,8-10(15)17-3)18-11(16)13-7-5-4-6-9(13)14/h4-8H2,1-3H3
InChIKeyRRDWMWQCDJQKCC-UHFFFAOYSA-N
XLogP1.48
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate?
The IUPAC name of (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate (CID 118339199) is (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate.
What is the SMILES notation for (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate?
The canonical SMILES for (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate is COC(=O)CC(C)(C)OC(=O)N1CCCCC1=O.
What is the InChIKey of (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate?
The InChIKey is RRDWMWQCDJQKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2,8-10(15)17-3)18-11(16)13-7-5-4-6-9(13)14/h4-8H2,1-3H3.
What are the key properties of (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate?
(4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2-methyl-4-oxobutan-2-yl) 2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 118339199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).