3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one

C12H21NO2 — CID 79642919

IUPAC3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
SMILESCCOC1CCCN(C2CCC(=O)C2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-12-4-3-7-13(9-12)10-5-6-11(14)8-10/h10,12H,2-9H2,1H3
InChIKeyLMYUJIYQJAZNCW-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.61
Rot. Bonds3

About 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one

3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one (PubChem CID 79642919) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
PubChem CID79642919
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one
SMILESCCOC1CCCN(C2CCC(=O)C2)C1
InChIInChI=1S/C12H21NO2/c1-2-15-12-4-3-7-13(9-12)10-5-6-11(14)8-10/h10,12H,2-9H2,1H3
InChIKeyLMYUJIYQJAZNCW-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-propoxypiperidin-1-yl)cyclopentan-1-one
CID 79642918
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
3-ethoxycyclopentan-1-one
CID 15050470
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-one
CID 79934767
trans-(1S,2S)-2-(3-ethoxypiperidin-1-yl)cyclohexan-1-ol
CID 102732019
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
CID 54990280
3-(3-cyclopropylpyrrolidin-1-yl)cyclopentan-1-one
CID 131097988
[1-amino-3-(3-ethoxypiperidin-1-yl)cyclopentyl]methanol
CID 79656230
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 114762273
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-one
CID 79934846
1-(3-ethoxycyclohexyl)azetidine
CID 163258789

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one (CID 79642919) is 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one is CCOC1CCCN(C2CCC(=O)C2)C1.
What is the InChIKey of 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one?
The InChIKey is LMYUJIYQJAZNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12-4-3-7-13(9-12)10-5-6-11(14)8-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one?
3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidin-1-yl)cyclopentan-1-one is sourced from PubChem (CID 79642919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).