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

C26H36N2O3 — CID 70675532

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide
SMILESO=C(CC1COC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C26H36N2O3/c29-26(15-20-16-30-17-20)27-22-7-5-19(6-8-22)9-12-28-13-10-21(11-14-28)24-18-31-25-4-2-1-3-23(24)25/h1-4,18-22H,5-17H2,(H,27,29)
InChIKeyHOMQYYYMDXLYHT-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.71
Rot. Bonds7

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide (PubChem CID 70675532) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide
PubChem CID70675532
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide
SMILESO=C(CC1COC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C26H36N2O3/c29-26(15-20-16-30-17-20)27-22-7-5-19(6-8-22)9-12-28-13-10-21(11-14-28)24-18-31-25-4-2-1-3-23(24)25/h1-4,18-22H,5-17H2,(H,27,29)
InChIKeyHOMQYYYMDXLYHT-UHFFFAOYSA-N
XLogP4.71
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide with MolForge

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Related Compounds

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-cyclobutylacetamide
CID 70674143
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
[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]-1-carbamoylcyclohexyl] ethanesulfonate
CID 123556221
N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-piperidin-3-ylacetamide
CID 123539943
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
CID 21105470
4-(1-benzofuran-3-yl)-1-methylpiperidine
CID 20758862
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide (CID 70675532) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide is O=C(CC1COC1)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide?
The InChIKey is HOMQYYYMDXLYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c29-26(15-20-16-30-17-20)27-22-7-5-19(6-8-22)9-12-28-13-10-21(11-14-28)24-18-31-25-4-2-1-3-23(24)25/h1-4,18-22H,5-17H2,(H,27,29).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-(oxetan-3-yl)acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 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-(oxetan-3-yl)acetamide is sourced from PubChem (CID 70675532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).