3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one

C17H31NO2 — CID 53150835

IUPAC3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-20-14-11-16-9-12-18(13-10-16)17(19)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3
InChIKeyCVABUKUVEOMPGO-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.62
Rot. Bonds6

About 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one

3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 53150835) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
PubChem CID53150835
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
SMILESCOCCC1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C17H31NO2/c1-20-14-11-16-9-12-18(13-10-16)17(19)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3
InChIKeyCVABUKUVEOMPGO-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 1-(3-cyclohexylpropanoyl)-4-piperidinecarboxylate
CID 756673
1-[4-(2-Hydroxy-1-methyl-ethyl)-piperidin-1-yl]-tridecan-1-one
CID 44271494
2-cyclohexyl-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 91915001
Ethyl 1-(cyclohexanecarbonyl)piperidine-3-carboxylate
CID 2914232
2-Cyclohexyl-1-[4-(prop-2-ynoxymethyl)piperidin-1-yl]ethanone
CID 49670836
3-Cyclohexyl-1-(3-(methoxymethyl)piperidin-1-yl)propan-1-one
CID 52992865
Cyclohexyl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150806
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
2-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 53150837
1-[2-Acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-2-cyclohexylethan-1-one
CID 91910537
2-Cyclohexyl-1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 132334816
Isonipecotic acid, N-(cyclohexylcarbonyl)-, pentyl ester
CID 91732560

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one (CID 53150835) is 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one is COCCC1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is CVABUKUVEOMPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-20-14-11-16-9-12-18(13-10-16)17(19)8-7-15-5-3-2-4-6-15/h15-16H,2-14H2,1H3.
What are the key properties of 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 281.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53150835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).