6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane

C27H41NO2 — CID 143254375

About 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane

6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane (PubChem CID 143254375) has the molecular formula C27H41NO2 and a molecular weight of 411.63 g/mol. Its IUPAC name is 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane.

Molecular Properties

• Compound Name: 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane
• PubChem CID: 143254375
• Molecular Formula: C27H41NO2
• Molecular Weight: 411.63 g/mol
• Exact Mass: 411.31
• IUPAC Name: 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane
• SMILES: C/C=C\C=C(/C)CN1CCC(CC2Cc3cc(C)c(OC)cc3C2=O)CC1.CCC
• InChI: InChI=1S/C24H33NO2.C3H8/c1-5-6-7-17(2)16-25-10-8-19(9-11-25)13-21-14-20-12-18(3)23(27-4)15-22(20)24(21)26;1-3-2/h5-7,12,15,19,21H,8-11,13-14,16H2,1-4H3;3H2,1-2H3/b6-5-,17-7+
• InChIKey: UMEZRNAHUVUSPU-XZFFJFQXSA-N
• XLogP: 6.40
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.63
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane?

The IUPAC name of 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane (CID 143254375) is 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane.

What is the SMILES notation for 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane?

The canonical SMILES for 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane is C/C=C\C=C(/C)CN1CCC(CC2Cc3cc(C)c(OC)cc3C2=O)CC1.CCC.

What is the InChIKey of 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane?

The InChIKey is UMEZRNAHUVUSPU-XZFFJFQXSA-N. The full InChI is InChI=1S/C24H33NO2.C3H8/c1-5-6-7-17(2)16-25-10-8-19(9-11-25)13-21-14-20-12-18(3)23(27-4)15-22(20)24(21)26;1-3-2/h5-7,12,15,19,21H,8-11,13-14,16H2,1-4H3;3H2,1-2H3/b6-5-,17-7+;.

What are the key properties of 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane?

6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane has a molecular weight of 411.63 g/mol, XLogP of 6.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-5-methyl-2-[[1-[(2E,4Z)-2-methylhexa-2,4-dienyl]piperidin-4-yl]methyl]-2,3-dihydroinden-1-one;propane is sourced from PubChem (CID 143254375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).