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

C25H36N2O3 — CID 70675059

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C25H36N2O3/c1-25(2,29)24(28)26-20-9-7-18(8-10-20)11-14-27-15-12-19(13-16-27)22-17-30-23-6-4-3-5-21(22)23/h3-6,17-20,29H,7-16H2,1-2H3,(H,26,28)
InChIKeyVFSAAGKCBXDENJ-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.45
Rot. Bonds6

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

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide (PubChem CID 70675059) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
PubChem CID70675059
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1
InChIInChI=1S/C25H36N2O3/c1-25(2,29)24(28)26-20-9-7-18(8-10-20)11-14-27-15-12-19(13-16-27)22-17-30-23-6-4-3-5-21(22)23/h3-6,17-20,29H,7-16H2,1-2H3,(H,26,28)
InChIKeyVFSAAGKCBXDENJ-UHFFFAOYSA-N
XLogP4.45
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(oxetan-3-yl)acetamide
CID 70675532
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
4-(1-benzofuran-3-yl)-1-methylpiperidine
CID 20758862
4-(1-benzofuran-3-yl)piperidine-1-carboxylic acid
CID 21105470
N-[4-[2-[4-(2,3-dihydro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 57387211
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1-benzofuran-3-carboxamide
CID 18414312

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide (CID 70675059) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)NC1CCC(CCN2CCC(c3coc4ccccc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is VFSAAGKCBXDENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-25(2,29)24(28)26-20-9-7-18(8-10-20)11-14-27-15-12-19(13-16-27)22-17-30-23-6-4-3-5-21(22)23/h3-6,17-20,29H,7-16H2,1-2H3,(H,26,28).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 412.57 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 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-hydroxy-2-methylpropanamide is sourced from PubChem (CID 70675059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).