N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C28H44FN5O — CID 146643402

About N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146643402) has the molecular formula C28H44FN5O and a molecular weight of 485.69 g/mol. Its IUPAC name is N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 146643402
• Molecular Formula: C28H44FN5O
• Molecular Weight: 485.69 g/mol
• Exact Mass: 485.35
• IUPAC Name: N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: Cc1ccc(F)c2c1NC(C(=O)NC1(C3CCCCCCC3)CCCC(N3CCN(C)CC3)N1)C2
• InChI: InChI=1S/C28H44FN5O/c1-20-12-13-23(29)22-19-24(30-26(20)22)27(35)32-28(21-9-6-4-3-5-7-10-21)14-8-11-25(31-28)34-17-15-33(2)16-18-34/h12-13,21,24-25,30-31H,3-11,14-19H2,1-2H3,(H,32,35)
• InChIKey: SRWZBMLTPVSMDH-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 59.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.69
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146643402) is N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(F)c2c1NC(C(=O)NC1(C3CCCCCCC3)CCCC(N3CCN(C)CC3)N1)C2.

What is the InChIKey of N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is SRWZBMLTPVSMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44FN5O/c1-20-12-13-23(29)22-19-24(30-26(20)22)27(35)32-28(21-9-6-4-3-5-7-10-21)14-8-11-25(31-28)34-17-15-33(2)16-18-34/h12-13,21,24-25,30-31H,3-11,14-19H2,1-2H3,(H,32,35).

What are the key properties of N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?

N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 485.69 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-cyclooctyl-6-(4-methylpiperazin-1-yl)piperidin-2-yl]-4-fluoro-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146643402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).