methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate

C11H19NO4 — CID 11436138

IUPACmethyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)CCC1CCCCN1C(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)7-6-9-5-3-4-8-12(9)11(14)16-2/h9H,3-8H2,1-2H3
InChIKeyQRRQYDBUCSDARW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.56
Rot. Bonds3

About methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate

methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate (PubChem CID 11436138) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
PubChem CID11436138
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate
SMILESCOC(=O)CCC1CCCCN1C(=O)OC
InChIInChI=1S/C11H19NO4/c1-15-10(13)7-6-9-5-3-4-8-12(9)11(14)16-2/h9H,3-8H2,1-2H3
InChIKeyQRRQYDBUCSDARW-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate (CID 11436138) is methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate is COC(=O)CCC1CCCCN1C(=O)OC.
What is the InChIKey of methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
The InChIKey is QRRQYDBUCSDARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-15-10(13)7-6-9-5-3-4-8-12(9)11(14)16-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate?
methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-3-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 11436138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).