2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

C32H43FN2O2 — CID 159983906

About 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one

2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (PubChem CID 159983906) has the molecular formula C32H43FN2O2 and a molecular weight of 506.71 g/mol. Its IUPAC name is 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.

Molecular Properties

• Compound Name: 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
• PubChem CID: 159983906
• Molecular Formula: C32H43FN2O2
• Molecular Weight: 506.71 g/mol
• Exact Mass: 506.33
• IUPAC Name: 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one
• SMILES: CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(C)F)C(C)C3)c3ccccc23)C(=O)C1
• InChI: InChI=1S/C32H43FN2O2/c1-20-16-21(2)26(30(37)17-20)12-13-29(36)31-24(5)35(28-11-9-8-10-27(28)31)23(4)25-14-15-34(22(3)18-25)19-32(6,7)33/h8-11,16,22-23,25H,12-15,17-19H2,1-7H3
• InChIKey: CMLUZJRAGCCNJB-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 42.31 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.71
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The IUPAC name of 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one (CID 159983906) is 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one.

What is the SMILES notation for 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The canonical SMILES for 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is CC1=CC(C)=C(CCC(=O)c2c(C)n(C(C)C3CCN(CC(C)(C)F)C(C)C3)c3ccccc23)C(=O)C1.

What is the InChIKey of 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

The InChIKey is CMLUZJRAGCCNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43FN2O2/c1-20-16-21(2)26(30(37)17-20)12-13-29(36)31-24(5)35(28-11-9-8-10-27(28)31)23(4)25-14-15-34(22(3)18-25)19-32(6,7)33/h8-11,16,22-23,25H,12-15,17-19H2,1-7H3.

What are the key properties of 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one?

2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one has a molecular weight of 506.71 g/mol, XLogP of 7.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[1-[1-[1-(2-fluoro-2-methylpropyl)-2-methylpiperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-3,5-dimethylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 159983906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).