5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

C25H29ClN2O3 — CID 40776142

About 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 40776142) has the molecular formula C25H29ClN2O3 and a molecular weight of 440.97 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
• PubChem CID: 40776142
• Molecular Formula: C25H29ClN2O3
• Molecular Weight: 440.97 g/mol
• Exact Mass: 440.19
• IUPAC Name: 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
• SMILES: COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1
• InChI: InChI=1S/C25H29ClN2O3/c1-16-13-23-20(14-21(16)26)17(2)24(31-23)25(29)27-15-22(28-11-5-4-6-12-28)18-7-9-19(30-3)10-8-18/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3,(H,27,29)/t22-/m0/s1
• InChIKey: XQQHRBRVBRMJES-QFIPXVFZSA-N
• XLogP: 5.67
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.97
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide (CID 40776142) is 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1.

What is the InChIKey of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?

The InChIKey is XQQHRBRVBRMJES-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29ClN2O3/c1-16-13-23-20(14-21(16)26)17(2)24(31-23)25(29)27-15-22(28-11-5-4-6-12-28)18-7-9-19(30-3)10-8-18/h7-10,13-14,22H,4-6,11-12,15H2,1-3H3,(H,27,29)/t22-/m0/s1.

What are the key properties of 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide?

5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 440.97 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 40776142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).