[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone

C26H27N3O3 — CID 56564571

About [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone

[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone (PubChem CID 56564571) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

• Compound Name: [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone
• PubChem CID: 56564571
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
• InChI: InChI=1S/C26H27N3O3/c1-19-17-21-9-5-6-10-23(21)29(19)18-24-22(11-16-32-24)26(31)28-14-12-27(13-15-28)25(30)20-7-3-2-4-8-20/h2-11,16,19H,12-15,17-18H2,1H3
• InChIKey: NKHYUUULLVOSEI-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 57.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone?

The IUPAC name of [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone (CID 56564571) is [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone.

What is the SMILES notation for [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone?

The canonical SMILES for [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone is CC1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.

What is the InChIKey of [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone?

The InChIKey is NKHYUUULLVOSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-17-21-9-5-6-10-23(21)29(19)18-24-22(11-16-32-24)26(31)28-14-12-27(13-15-28)25(30)20-7-3-2-4-8-20/h2-11,16,19H,12-15,17-18H2,1H3.

What are the key properties of [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone?

[4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 429.52 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 56564571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).