2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one

C17H27NO2 — CID 103163775

IUPAC2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)CC1CCC1
InChIInChI=1S/C17H27NO2/c19-16-10-2-1-8-14(16)15-9-3-4-11-18(15)17(20)12-13-6-5-7-13/h13-15H,1-12H2
InChIKeyYWJLVLSRIOPQFS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one

2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one (PubChem CID 103163775) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
PubChem CID103163775
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCCN1C(=O)CC1CCC1
InChIInChI=1S/C17H27NO2/c19-16-10-2-1-8-14(16)15-9-3-4-11-18(15)17(20)12-13-6-5-7-13/h13-15H,1-12H2
InChIKeyYWJLVLSRIOPQFS-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2R)-1-(2-cyclobutylacetyl)azepan-2-yl]cyclohexan-1-one
CID 124887668
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-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
(8aR,12aS)-1-(2-cyclohexylacetyl)-2,3,4,5,6,7,8a,9,10,11,12,12a-dodecahydrobenzo[b][1,5]diazecin-8-one
CID 110201298
2-[1-[2-(1-methoxycyclobutyl)acetyl]piperidin-2-yl]cyclopentan-1-one
CID 103556715
N-ethyl-N-methyl-2-(2-oxocyclohexyl)piperidine-1-carboxamide
CID 79553640
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
2-[1-(cyclobutylmethyl)piperidin-2-yl]cyclohexan-1-one
CID 79553179
2-[1-(3-methoxy-3-methylbutanoyl)piperidin-2-yl]cyclopentan-1-one
CID 103020598
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one (CID 103163775) is 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCCN1C(=O)CC1CCC1.
What is the InChIKey of 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one?
The InChIKey is YWJLVLSRIOPQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16-10-2-1-8-14(16)15-9-3-4-11-18(15)17(20)12-13-6-5-7-13/h13-15H,1-12H2.
What are the key properties of 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one?
2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclobutylacetyl)piperidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 103163775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).