N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C31H36N4O3 — CID 70675484

IUPACN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NC3CCC(CCN4CCC(c5coc6ccccc56)CC4)CC3)cc2)no1
InChIInChI=1S/C31H36N4O3/c1-21-32-30(34-38-21)24-8-10-25(11-9-24)31(36)33-26-12-6-22(7-13-26)14-17-35-18-15-23(16-19-35)28-20-37-29-5-3-2-4-27(28)29/h2-5,8-11,20,22-23,26H,6-7,12-19H2,1H3,(H,33,36)
InChIKeyWVGMMWFIRBRTKW-UHFFFAOYSA-N
MW512.65 g/mol
LogP6.35
Rot. Bonds7

About N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 70675484) has the molecular formula C31H36N4O3 and a molecular weight of 512.65 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID70675484
Molecular FormulaC31H36N4O3
Molecular Weight512.65 g/mol
Exact Mass512.28
IUPAC NameN-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)NC3CCC(CCN4CCC(c5coc6ccccc56)CC4)CC3)cc2)no1
InChIInChI=1S/C31H36N4O3/c1-21-32-30(34-38-21)24-8-10-25(11-9-24)31(36)33-26-12-6-22(7-13-26)14-17-35-18-15-23(16-19-35)28-20-37-29-5-3-2-4-27(28)29/h2-5,8-11,20,22-23,26H,6-7,12-19H2,1H3,(H,33,36)
InChIKeyWVGMMWFIRBRTKW-UHFFFAOYSA-N
XLogP6.35
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.65
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of 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) is N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)NC3CCC(CCN4CCC(c5coc6ccccc56)CC4)CC3)cc2)no1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is WVGMMWFIRBRTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O3/c1-21-32-30(34-38-21)24-8-10-25(11-9-24)31(36)33-26-12-6-22(7-13-26)14-17-35-18-15-23(16-19-35)28-20-37-29-5-3-2-4-27(28)29/h2-5,8-11,20,22-23,26H,6-7,12-19H2,1H3,(H,33,36).
What are the key properties of N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[4-[2-[4-(1-benzofuran-3-yl)piperidin-1-yl]ethyl]cyclohexyl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 512.65 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 70675484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).