1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one

C13H23NO2 — CID 76655504

IUPAC1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one
SMILESCCOCC1CCC(N2CCC(=O)CC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-10-11-3-4-12(9-11)14-7-5-13(15)6-8-14/h11-12H,2-10H2,1H3
InChIKeyVRRLKRMXVSZQLK-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.86
Rot. Bonds4

About 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one

1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one (PubChem CID 76655504) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one
PubChem CID76655504
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one
SMILESCCOCC1CCC(N2CCC(=O)CC2)C1
InChIInChI=1S/C13H23NO2/c1-2-16-10-11-3-4-12(9-11)14-7-5-13(15)6-8-14/h11-12H,2-10H2,1H3
InChIKeyVRRLKRMXVSZQLK-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one?
The IUPAC name of 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one (CID 76655504) is 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one?
The canonical SMILES for 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one is CCOCC1CCC(N2CCC(=O)CC2)C1.
What is the InChIKey of 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one?
The InChIKey is VRRLKRMXVSZQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-10-11-3-4-12(9-11)14-7-5-13(15)6-8-14/h11-12H,2-10H2,1H3.
What are the key properties of 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one?
1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)cyclopentyl]piperidin-4-one is sourced from PubChem (CID 76655504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).