2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone

C12H21NO2 — CID 103517322

IUPAC2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone
SMILESCOC1(CC(=O)N2CCCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-15-12(6-5-7-12)10-11(14)13-8-3-2-4-9-13/h2-10H2,1H3
InChIKeyZOJDHKWNLYHPFZ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.96
Rot. Bonds3

About 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone

2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone (PubChem CID 103517322) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone
PubChem CID103517322
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone
SMILESCOC1(CC(=O)N2CCCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-15-12(6-5-7-12)10-11(14)13-8-3-2-4-9-13/h2-10H2,1H3
InChIKeyZOJDHKWNLYHPFZ-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone (CID 103517322) is 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone is COC1(CC(=O)N2CCCCC2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone?
The InChIKey is ZOJDHKWNLYHPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-15-12(6-5-7-12)10-11(14)13-8-3-2-4-9-13/h2-10H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone?
2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone has a molecular weight of 211.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 103517322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).