N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide

C27H37FN2O3 — CID 57385676

About N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide

N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (PubChem CID 57385676) has the molecular formula C27H37FN2O3 and a molecular weight of 456.60 g/mol. Its IUPAC name is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
• PubChem CID: 57385676
• Molecular Formula: C27H37FN2O3
• Molecular Weight: 456.60 g/mol
• Exact Mass: 456.28
• IUPAC Name: N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide
• SMILES: O=C(NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1)C1CCOCC1
• InChI: InChI=1S/C27H37FN2O3/c28-25-6-5-23(24-12-18-33-26(24)25)20-8-14-30(15-9-20)13-7-19-1-3-22(4-2-19)29-27(31)21-10-16-32-17-11-21/h5-6,12,18-22H,1-4,7-11,13-17H2,(H,29,31)
• InChIKey: UQYZSEJGPCJXFW-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.60
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?

The IUPAC name of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide (CID 57385676) is N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide.

What is the SMILES notation for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?

The canonical SMILES for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide is O=C(NC1CCC(CCN2CCC(c3ccc(F)c4occc34)CC2)CC1)C1CCOCC1.

What is the InChIKey of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?

The InChIKey is UQYZSEJGPCJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2O3/c28-25-6-5-23(24-12-18-33-26(24)25)20-8-14-30(15-9-20)13-7-19-1-3-22(4-2-19)29-27(31)21-10-16-32-17-11-21/h5-6,12,18-22H,1-4,7-11,13-17H2,(H,29,31).

What are the key properties of N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide?

N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide has a molecular weight of 456.60 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(7-fluoro-1-benzofuran-4-yl)piperidin-1-yl]ethyl]cyclohexyl]oxane-4-carboxamide is sourced from PubChem (CID 57385676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).