2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one

C14H23NO2 — CID 14393613

IUPAC2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCC(=O)N1CCCCC1
InChIInChI=1S/C14H23NO2/c16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-1-5-11-15/h12H,1-11H2
InChIKeyMLSNIGGKWBYVKO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one

2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one (PubChem CID 14393613) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
PubChem CID14393613
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCC(=O)N1CCCCC1
InChIInChI=1S/C14H23NO2/c16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-1-5-11-15/h12H,1-11H2
InChIKeyMLSNIGGKWBYVKO-UHFFFAOYSA-N
XLogP2.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981
3-(2-oxocyclododecyl)propanoyl chloride
CID 54316934
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclohexan-1-one
CID 143381826
(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 92603244
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
4-(2-oxocyclohexyl)butanoic acid
CID 10559385
2-(3-oxo-3-piperidin-1-ylpropyl)-3,4-dihydro-2H-naphthalen-1-one
CID 22104550
2-(4-diazo-3-oxobutyl)cycloheptan-1-one
CID 101125762
2-[3-[4-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 110221471
2-(3-oxoheptyl)cyclohexan-1-one
CID 71341464
1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
8,9-dimethoxy-3-[3-[(1R)-2-oxocyclohexyl]propanoyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 95801037

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one?
The IUPAC name of 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one (CID 14393613) is 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one?
The canonical SMILES for 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one is O=C1CCCCC1CCC(=O)N1CCCCC1.
What is the InChIKey of 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one?
The InChIKey is MLSNIGGKWBYVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-13-7-3-2-6-12(13)8-9-14(17)15-10-4-1-5-11-15/h12H,1-11H2.
What are the key properties of 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one?
2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one is sourced from PubChem (CID 14393613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).