N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide

C26H33N3O2 — CID 26409779

About N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 26409779) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 26409779
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)c(C)c1
• InChI: InChI=1S/C26H33N3O2/c1-19-15-22(31-3)11-12-24(19)27-26(30)13-10-20-7-6-14-29(16-20)18-21-17-28(2)25-9-5-4-8-23(21)25/h4-5,8-9,11-12,15,17,20H,6-7,10,13-14,16,18H2,1-3H3,(H,27,30)/t20-/m0/s1
• InChIKey: QVCNMSREOZAKNI-FQEVSTJZSA-N
• XLogP: 5.13
• TPSA: 46.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	5.13
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-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide (CID 26409779) is N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide.

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

The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3cn(C)c4ccccc34)C2)c(C)c1.

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

The InChIKey is QVCNMSREOZAKNI-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-19-15-22(31-3)11-12-24(19)27-26(30)13-10-20-7-6-14-29(16-20)18-21-17-28(2)25-9-5-4-8-23(21)25/h4-5,8-9,11-12,15,17,20H,6-7,10,13-14,16,18H2,1-3H3,(H,27,30)/t20-/m0/s1.

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

N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 419.57 g/mol, XLogP of 5.13, 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-[(3S)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26409779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).