cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone

C12H21NO3 — CID 42844209

IUPACcyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H21NO3/c1-15-7-8-16-11-3-2-6-13(9-11)12(14)10-4-5-10/h10-11H,2-9H2,1H3
InChIKeyOFHHNVSPGRTHON-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.05
Rot. Bonds5

About cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone

cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone (PubChem CID 42844209) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
PubChem CID42844209
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namecyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
SMILESCOCCOC1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C12H21NO3/c1-15-7-8-16-11-3-2-6-13(9-11)12(14)10-4-5-10/h10-11H,2-9H2,1H3
InChIKeyOFHHNVSPGRTHON-UHFFFAOYSA-N
XLogP1.05
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone (CID 42844209) is cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone is COCCOC1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is OFHHNVSPGRTHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-15-7-8-16-11-3-2-6-13(9-11)12(14)10-4-5-10/h10-11H,2-9H2,1H3.
What are the key properties of cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone?
cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 227.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(2-methoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 42844209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).