3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide

C24H33N3O3 — CID 100833189

About 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide

3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide (PubChem CID 100833189) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
• PubChem CID: 100833189
• Molecular Formula: C24H33N3O3
• Molecular Weight: 411.55 g/mol
• Exact Mass: 411.25
• IUPAC Name: 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
• SMILES: COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2OC)C1
• InChI: InChI=1S/C24H33N3O3/c1-18-8-6-9-20(24(18)30-3)17-27-14-7-10-19(16-27)23(21-11-4-5-13-25-21)26-22(28)12-15-29-2/h4-6,8-9,11,13,19,23H,7,10,12,14-17H2,1-3H3,(H,26,28)/t19-,23-/m1/s1
• InChIKey: KWNXCXWEGLHDPT-AUSIDOKSSA-N
• XLogP: 3.50
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.55
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide?

The IUPAC name of 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide (CID 100833189) is 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide.

What is the SMILES notation for 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide?

The canonical SMILES for 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide is COCCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2OC)C1.

What is the InChIKey of 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide?

The InChIKey is KWNXCXWEGLHDPT-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-8-6-9-20(24(18)30-3)17-27-14-7-10-19(16-27)23(21-11-4-5-13-25-21)26-22(28)12-15-29-2/h4-6,8-9,11,13,19,23H,7,10,12,14-17H2,1-3H3,(H,26,28)/t19-,23-/m1/s1.

What are the key properties of 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide?

3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide has a molecular weight of 411.55 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide is sourced from PubChem (CID 100833189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).