2-methoxy-1-piperidin-1-ylpropan-1-one

C9H17NO2 — CID 91035454

IUPAC2-methoxy-1-piperidin-1-ylpropan-1-one
SMILESCOC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(12-2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyFZMWFNMYENMNRU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.03
Rot. Bonds2

About 2-methoxy-1-piperidin-1-ylpropan-1-one

2-methoxy-1-piperidin-1-ylpropan-1-one (PubChem CID 91035454) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methoxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methoxy-1-piperidin-1-ylpropan-1-one
PubChem CID91035454
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methoxy-1-piperidin-1-ylpropan-1-one
SMILESCOC(C)C(=O)N1CCCCC1
InChIInChI=1S/C9H17NO2/c1-8(12-2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3
InChIKeyFZMWFNMYENMNRU-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-1-piperidin-1-ylpropan-1-one 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 2-methoxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-methoxy-1-piperidin-1-ylpropan-1-one (CID 91035454) is 2-methoxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methoxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-methoxy-1-piperidin-1-ylpropan-1-one is COC(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-methoxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is FZMWFNMYENMNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(12-2)9(11)10-6-4-3-5-7-10/h8H,3-7H2,1-2H3.
What are the key properties of 2-methoxy-1-piperidin-1-ylpropan-1-one?
2-methoxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 171.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 91035454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).