methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate

C9H17NO4 — CID 143618865

IUPACmethane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate
SMILESC.COC(=O)C1CN(OC)CCC1=O
InChIInChI=1S/C8H13NO4.CH4/c1-12-8(11)6-5-9(13-2)4-3-7(6)10;/h6H,3-5H2,1-2H3;1H4
InChIKeyYCGAOLRVLPEDIC-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.25
Rot. Bonds2

About methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate

methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate (PubChem CID 143618865) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate
PubChem CID143618865
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate
SMILESC.COC(=O)C1CN(OC)CCC1=O
InChIInChI=1S/C8H13NO4.CH4/c1-12-8(11)6-5-9(13-2)4-3-7(6)10;/h6H,3-5H2,1-2H3;1H4
InChIKeyYCGAOLRVLPEDIC-UHFFFAOYSA-N
XLogP0.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate?
The IUPAC name of methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate (CID 143618865) is methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate.
What is the SMILES notation for methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate?
The canonical SMILES for methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate is C.COC(=O)C1CN(OC)CCC1=O.
What is the InChIKey of methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate?
The InChIKey is YCGAOLRVLPEDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4.CH4/c1-12-8(11)6-5-9(13-2)4-3-7(6)10;/h6H,3-5H2,1-2H3;1H4.
What are the key properties of methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate?
methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 1-methoxy-4-oxopiperidine-3-carboxylate is sourced from PubChem (CID 143618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).