N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide

C27H38N2O2 — CID 70674143

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H38N2O2/c30-27(18-21-4-3-5-21)28-23-10-8-20(9-11-23)12-15-29-16-13-22(14-17-29)25-19-31-26-7-2-1-6-24(25)26/h1-2,6-7,19-23H,3-5,8-18H2,(H,28,30)
InChIKeyYBUAHTMMKRAXBO-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.87
Rot. Bonds7

About N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide (PubChem CID 70674143) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide
PubChem CID70674143
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C27H38N2O2/c30-27(18-21-4-3-5-21)28-23-10-8-20(9-11-23)12-15-29-16-13-22(14-17-29)25-19-31-26-7-2-1-6-24(25)26/h1-2,6-7,19-23H,3-5,8-18H2,(H,28,30)
InChIKeyYBUAHTMMKRAXBO-UHFFFAOYSA-N
XLogP5.87
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide
CID 70675532
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
CID 70675059
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-N',N'-dimethylbutanediamide
CID 70673789
4-amino-N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 89137865
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-methylsulfonylbenzamide
CID 70675575
4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]-N-(methylsulfamoyl)cyclohexan-1-amine
CID 71002623
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 70675484
N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-piperidin-3-ylacetamide
CID 123539943
[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]-1-carbamoylcyclohexyl] ethanesulfonate
CID 123556221
2-cyclobutyl-N-[4-[2-(4-furo[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide
CID 58045664
N-[4-[2-[4-(6-chloro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
CID 25207032
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
CID 21105470

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide (CID 70674143) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide is O=C(CC1CCC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide?
The InChIKey is YBUAHTMMKRAXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c30-27(18-21-4-3-5-21)28-23-10-8-20(9-11-23)12-15-29-16-13-22(14-17-29)25-19-31-26-7-2-1-6-24(25)26/h1-2,6-7,19-23H,3-5,8-18H2,(H,28,30).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide has a molecular weight of 422.61 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide is sourced from PubChem (CID 70674143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).