1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one

C18H31NO2 — CID 114508264

IUPAC1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)C2CCC(C(C)(C)C)CC2)CCC1=O
InChIInChI=1S/C18H31NO2/c1-5-13-12-19(11-10-16(13)20)17(21)14-6-8-15(9-7-14)18(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyMMRKULHQUHNBRI-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.67
Rot. Bonds2

About 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one

1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one (PubChem CID 114508264) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
PubChem CID114508264
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
SMILESCCC1CN(C(=O)C2CCC(C(C)(C)C)CC2)CCC1=O
InChIInChI=1S/C18H31NO2/c1-5-13-12-19(11-10-16(13)20)17(21)14-6-8-15(9-7-14)18(2,3)4/h13-15H,5-12H2,1-4H3
InChIKeyMMRKULHQUHNBRI-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
1-[1-(4-tert-butylcyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutan-2-one
CID 170668540
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486762
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylcyclohexyl)methanone
CID 107159918
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
3-ethyl-1-(2-methylpentanoyl)piperidin-4-one
CID 114508100
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
1-(cyclohexanecarbonyl)-3-methylpiperidin-4-one
CID 114499917
3-ethyl-1-octanoylpiperidin-4-one
CID 114508255

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one?
The IUPAC name of 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one (CID 114508264) is 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one.
What is the SMILES notation for 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one?
The canonical SMILES for 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one is CCC1CN(C(=O)C2CCC(C(C)(C)C)CC2)CCC1=O.
What is the InChIKey of 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one?
The InChIKey is MMRKULHQUHNBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-13-12-19(11-10-16(13)20)17(21)14-6-8-15(9-7-14)18(2,3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one?
1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one has a molecular weight of 293.45 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one is sourced from PubChem (CID 114508264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).