methyl 2-methoxy-2-piperidin-1-ylacetate

C9H17NO3 — CID 57327649

IUPACmethyl 2-methoxy-2-piperidin-1-ylacetate
SMILESCOC(=O)C(OC)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-12-8(9(11)13-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyZYGQPNCICNDGSW-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.62
Rot. Bonds3

About methyl 2-methoxy-2-piperidin-1-ylacetate

methyl 2-methoxy-2-piperidin-1-ylacetate (PubChem CID 57327649) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-methoxy-2-piperidin-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-methoxy-2-piperidin-1-ylacetate
PubChem CID57327649
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-methoxy-2-piperidin-1-ylacetate
SMILESCOC(=O)C(OC)N1CCCCC1
InChIInChI=1S/C9H17NO3/c1-12-8(9(11)13-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyZYGQPNCICNDGSW-UHFFFAOYSA-N
XLogP0.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-methoxy-2-piperidin-1-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2-piperidin-1-ylacetate?
The IUPAC name of methyl 2-methoxy-2-piperidin-1-ylacetate (CID 57327649) is methyl 2-methoxy-2-piperidin-1-ylacetate.
What is the SMILES notation for methyl 2-methoxy-2-piperidin-1-ylacetate?
The canonical SMILES for methyl 2-methoxy-2-piperidin-1-ylacetate is COC(=O)C(OC)N1CCCCC1.
What is the InChIKey of methyl 2-methoxy-2-piperidin-1-ylacetate?
The InChIKey is ZYGQPNCICNDGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-12-8(9(11)13-2)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-methoxy-2-piperidin-1-ylacetate?
methyl 2-methoxy-2-piperidin-1-ylacetate has a molecular weight of 187.24 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2-piperidin-1-ylacetate is sourced from PubChem (CID 57327649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).