2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one

C17H29NO2 — CID 79553408

IUPAC2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
SMILESCCCCCC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-12-17(20)18-13-8-7-10-15(18)14-9-5-6-11-16(14)19/h14-15H,2-13H2,1H3
InChIKeyPXWVBNCOKXXKBP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.71
Rot. Bonds5

About 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one

2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one (PubChem CID 79553408) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
PubChem CID79553408
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
SMILESCCCCCC(=O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C17H29NO2/c1-2-3-4-12-17(20)18-13-8-7-10-15(18)14-9-5-6-11-16(14)19/h14-15H,2-13H2,1H3
InChIKeyPXWVBNCOKXXKBP-UHFFFAOYSA-N
XLogP3.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-(1-octanoylpyrrolidin-2-yl)cyclopentan-1-one
CID 79548429
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925
2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
CID 103163775
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
(2S)-2-[(2R)-1-(2-cyclobutylacetyl)azepan-2-yl]cyclohexan-1-one
CID 124887668
N-ethyl-N-methyl-2-(2-oxocyclohexyl)piperidine-1-carboxamide
CID 79553640
2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
CID 79546432
2-[1-(3-methylsulfanylpropanoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547559
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598

Frequently Asked Questions

What is the IUPAC name of 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one (CID 79553408) is 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one is CCCCCC(=O)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one?
The InChIKey is PXWVBNCOKXXKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-2-3-4-12-17(20)18-13-8-7-10-15(18)14-9-5-6-11-16(14)19/h14-15H,2-13H2,1H3.
What are the key properties of 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one?
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one has a molecular weight of 279.42 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 79553408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).