4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

C29H35F4N3O3 — CID 153063883

About 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one

4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 153063883) has the molecular formula C29H35F4N3O3 and a molecular weight of 549.61 g/mol. Its IUPAC name is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• PubChem CID: 153063883
• Molecular Formula: C29H35F4N3O3
• Molecular Weight: 549.61 g/mol
• Exact Mass: 549.26
• IUPAC Name: 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one
• SMILES: COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)C(F)F)CC2)c2ccccc12
• InChI: InChI=1S/C29H35F4N3O3/c1-17-15-25(39-4)22(27(38)34-17)9-10-24(37)26-19(3)36(23-8-6-5-7-21(23)26)18(2)20-11-13-35(14-12-20)16-29(32,33)28(30)31/h5-8,15,18,20,28H,9-14,16H2,1-4H3,(H,34,38)/t18-/m1/s1
• InChIKey: VJZKVPHDLPKZQG-GOSISDBHSA-N
• XLogP: 5.94
• TPSA: 67.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.61
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The IUPAC name of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (CID 153063883) is 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.

What is the SMILES notation for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The canonical SMILES for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n([C@H](C)C2CCN(CC(F)(F)C(F)F)CC2)c2ccccc12.

What is the InChIKey of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

The InChIKey is VJZKVPHDLPKZQG-GOSISDBHSA-N. The full InChI is InChI=1S/C29H35F4N3O3/c1-17-15-25(39-4)22(27(38)34-17)9-10-24(37)26-19(3)36(23-8-6-5-7-21(23)26)18(2)20-11-13-35(14-12-20)16-29(32,33)28(30)31/h5-8,15,18,20,28H,9-14,16H2,1-4H3,(H,34,38)/t18-/m1/s1.

What are the key properties of 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one?

4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one has a molecular weight of 549.61 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-methyl-3-[3-[2-methyl-1-[(1R)-1-[1-(2,2,3,3-tetrafluoropropyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one is sourced from PubChem (CID 153063883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).