N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide

C23H32N2O6 — CID 45204302

About N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45204302) has the molecular formula C23H32N2O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
• PubChem CID: 45204302
• Molecular Formula: C23H32N2O6
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1
• InChI: InChI=1S/C23H32N2O6/c1-16-22(31-12-11-30-16)23(27)25-10-4-5-17(15-25)6-9-21(26)24-14-18-7-8-19(28-2)13-20(18)29-3/h7-8,13,17H,4-6,9-12,14-15H2,1-3H3,(H,24,26)
• InChIKey: PJDQHTIZSRCNNB-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 86.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?

The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide (CID 45204302) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(C(=O)C3=C(C)OCCO3)C2)c(OC)c1.

What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?

The InChIKey is PJDQHTIZSRCNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6/c1-16-22(31-12-11-30-16)23(27)25-10-4-5-17(15-25)6-9-21(26)24-14-18-7-8-19(28-2)13-20(18)29-3/h7-8,13,17H,4-6,9-12,14-15H2,1-3H3,(H,24,26).

What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 432.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45204302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).