3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one

C17H27NO2 — CID 166279835

IUPAC3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one
SMILESO=C1CCC(CC(=O)N2CCCC(C3CCC3)CC2)C1
InChIInChI=1S/C17H27NO2/c19-16-7-6-13(11-16)12-17(20)18-9-2-5-15(8-10-18)14-3-1-4-14/h13-15H,1-12H2
InChIKeyLPHAIOHTBMRDRT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds3

About 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one

3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one (PubChem CID 166279835) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one
PubChem CID166279835
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one
SMILESO=C1CCC(CC(=O)N2CCCC(C3CCC3)CC2)C1
InChIInChI=1S/C17H27NO2/c19-16-7-6-13(11-16)12-17(20)18-9-2-5-15(8-10-18)14-3-1-4-14/h13-15H,1-12H2
InChIKeyLPHAIOHTBMRDRT-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(4-pyrrolidin-3-ylpiperidin-1-yl)ethanone
CID 115276433
1-(4-hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
(3S)-3-(2-hydroxyethyl)cyclopentan-1-one
CID 71387530
1-(4-aminopiperidin-1-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone;hydrochloride
CID 119375839
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-(6-oxo-3,3a,4,5,7,7a-hexahydro-2H-indol-1-yl)pentane-1,5-dione
CID 66794873
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
CID 175603562
3-[(3-oxocyclopentyl)methyl]cyclopentan-1-one
CID 121217828
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
2-cyclobutyl-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119560451
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
2-[acetyl-[(4S)-1-(2-cyclopentylacetyl)azepan-4-yl]amino]acetic acid
CID 129468615

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one?
The IUPAC name of 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one (CID 166279835) is 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one.
What is the SMILES notation for 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one?
The canonical SMILES for 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one is O=C1CCC(CC(=O)N2CCCC(C3CCC3)CC2)C1.
What is the InChIKey of 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one?
The InChIKey is LPHAIOHTBMRDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c19-16-7-6-13(11-16)12-17(20)18-9-2-5-15(8-10-18)14-3-1-4-14/h13-15H,1-12H2.
What are the key properties of 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one?
3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one has a molecular weight of 277.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclobutylazepan-1-yl)-2-oxoethyl]cyclopentan-1-one is sourced from PubChem (CID 166279835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).