N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide

C23H31N3O2 — CID 26411235

About N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide (PubChem CID 26411235) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 26411235
• Molecular Formula: C23H31N3O2
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.24
• IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cccc(C)n3)C2)c(C)c1
• InChI: InChI=1S/C23H31N3O2/c1-17-14-21(28-3)10-11-22(17)25-23(27)12-9-19-7-5-13-26(15-19)16-20-8-4-6-18(2)24-20/h4,6,8,10-11,14,19H,5,7,9,12-13,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1
• InChIKey: RQCALOABTPWURX-LJQANCHMSA-N
• XLogP: 4.34
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide (CID 26411235) is N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(Cc3cccc(C)n3)C2)c(C)c1.

What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide?

The InChIKey is RQCALOABTPWURX-LJQANCHMSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-17-14-21(28-3)10-11-22(17)25-23(27)12-9-19-7-5-13-26(15-19)16-20-8-4-6-18(2)24-20/h4,6,8,10-11,14,19H,5,7,9,12-13,15-16H2,1-3H3,(H,25,27)/t19-/m1/s1.

What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide?

N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26411235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).