N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

C26H30N2O4 — CID 35574687

About N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (PubChem CID 35574687) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
• PubChem CID: 35574687
• Molecular Formula: C26H30N2O4
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.22
• IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide
• SMILES: COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCCC2)cc1
• InChI: InChI=1S/C26H30N2O4/c1-17-13-18(2)25-21(14-17)23(29)15-24(32-25)26(30)27-16-22(28-11-5-4-6-12-28)19-7-9-20(31-3)10-8-19/h7-10,13-15,22H,4-6,11-12,16H2,1-3H3,(H,27,30)/t22-/m0/s1
• InChIKey: ODIWEGWDHJRFCI-QFIPXVFZSA-N
• XLogP: 4.38
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The IUPAC name of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide (CID 35574687) is N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The canonical SMILES for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)N2CCCCC2)cc1.

What is the InChIKey of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

The InChIKey is ODIWEGWDHJRFCI-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-17-13-18(2)25-21(14-17)23(29)15-24(32-25)26(30)27-16-22(28-11-5-4-6-12-28)19-7-9-20(31-3)10-8-19/h7-10,13-15,22H,4-6,11-12,16H2,1-3H3,(H,27,30)/t22-/m0/s1.

What are the key properties of N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide?

N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-6,8-dimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35574687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).