4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one

C25H24FN3O2 — CID 154833142

About 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one

4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one (PubChem CID 154833142) has the molecular formula C25H24FN3O2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one.

Molecular Properties

• Compound Name: 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
• PubChem CID: 154833142
• Molecular Formula: C25H24FN3O2
• Molecular Weight: 417.48 g/mol
• Exact Mass: 417.19
• IUPAC Name: 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one
• SMILES: O=C1C2C3CC4C2C2(C(=O)N5CCCCC5c5ncc(-c6cccc(F)c6)[nH]5)C1C3C42
• InChI: InChI=1S/C25H24FN3O2/c26-12-5-3-4-11(8-12)15-10-27-23(28-15)16-6-1-2-7-29(16)24(31)25-19-14-9-13-17(19)21(25)22(30)18(13)20(14)25/h3-5,8,10,13-14,16-21H,1-2,6-7,9H2,(H,27,28)
• InChIKey: OYNRNZHIRHMAMQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.48
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one?

The IUPAC name of 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one (CID 154833142) is 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one.

What is the SMILES notation for 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one?

The canonical SMILES for 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one is O=C1C2C3CC4C2C2(C(=O)N5CCCCC5c5ncc(-c6cccc(F)c6)[nH]5)C1C3C42.

What is the InChIKey of 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one?

The InChIKey is OYNRNZHIRHMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O2/c26-12-5-3-4-11(8-12)15-10-27-23(28-15)16-6-1-2-7-29(16)24(31)25-19-14-9-13-17(19)21(25)22(30)18(13)20(14)25/h3-5,8,10,13-14,16-21H,1-2,6-7,9H2,(H,27,28).

What are the key properties of 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one?

4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one has a molecular weight of 417.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidine-1-carbonyl]pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-one is sourced from PubChem (CID 154833142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).