1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one

C15H25NO2 — CID 71192094

IUPAC1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-2-14(17)16-11-7-6-10-13(16)15(18)12-8-4-3-5-9-12/h12-13H,2-11H2,1H3
InChIKeyJNDCZKWLOWRLIZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.93
Rot. Bonds3

About 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one

1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one (PubChem CID 71192094) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one
PubChem CID71192094
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCCC1C(=O)C1CCCCC1
InChIInChI=1S/C15H25NO2/c1-2-14(17)16-11-7-6-10-13(16)15(18)12-8-4-3-5-9-12/h12-13H,2-11H2,1H3
InChIKeyJNDCZKWLOWRLIZ-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
3,3-dimethyl-1-[(2S)-2-pentanoylpiperidin-1-yl]pentane-1,2-dione
CID 10913447
1-(2-Cyclohexyl-2-oxoacetyl)piperidine-2-carbaldehyde
CID 44338100
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
Piperidine, 2-ethyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049452
1-(3-Cyclohexylpropanoyl)-2-ethylpiperidine
CID 2939379
1-(2-Butanoylpiperidin-1-yl)-3,3-dimethylpentane-1,2-dione
CID 44338136
4-(Bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one
CID 127786720
1-[4-(4,4-Difluoropiperidine-1-carbonyl)cyclohexyl]ethanone
CID 58356066
1-[1-(4-Fluorocyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 71090478
6-(Fluoromethyl)-1-[2-oxo-2-[4-(trifluoromethyl)cyclohexyl]ethyl]piperidin-2-one
CID 90892743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one (CID 71192094) is 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CCCCC1C(=O)C1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is JNDCZKWLOWRLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-14(17)16-11-7-6-10-13(16)15(18)12-8-4-3-5-9-12/h12-13H,2-11H2,1H3.
What are the key properties of 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one?
1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexanecarbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).