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

C25H36N2O3 — CID 57387208

IUPACN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C25H36N2O3/c1-29-17-13-25(28)26-21-7-5-19(6-8-21)9-14-27-15-10-20(11-16-27)22-3-2-4-24-23(22)12-18-30-24/h2-4,12,18-21H,5-11,13-17H2,1H3,(H,26,28)
InChIKeyZJUHEDMNUHRHQM-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.71
Rot. Bonds8

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

N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (PubChem CID 57387208) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
PubChem CID57387208
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC NameN-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1
InChIInChI=1S/C25H36N2O3/c1-29-17-13-25(28)26-21-7-5-19(6-8-21)9-14-27-15-10-20(11-16-27)22-3-2-4-24-23(22)12-18-30-24/h2-4,12,18-21H,5-11,13-17H2,1H3,(H,26,28)
InChIKeyZJUHEDMNUHRHQM-UHFFFAOYSA-N
XLogP4.71
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The IUPAC name of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide (CID 57387208) is N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide.
What is the SMILES notation for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The canonical SMILES for N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is COCCC(=O)NC1CCC(CCN2CCC(c3cccc4occc34)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
The InChIKey is ZJUHEDMNUHRHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-29-17-13-25(28)26-21-7-5-19(6-8-21)9-14-27-15-10-20(11-16-27)22-3-2-4-24-23(22)12-18-30-24/h2-4,12,18-21H,5-11,13-17H2,1H3,(H,26,28).
What are the key properties of N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide?
N-[4-[2-[4-(1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide has a molecular weight of 412.57 g/mol, XLogP of 4.71, 8 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-4-yl)piperidin-1-yl]ethyl]cyclohexyl]-3-methoxypropanamide is sourced from PubChem (CID 57387208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).