azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone

C26H39N3O — CID 45244406

About azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone

azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (PubChem CID 45244406) has the molecular formula C26H39N3O and a molecular weight of 409.62 g/mol. Its IUPAC name is azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
• PubChem CID: 45244406
• Molecular Formula: C26H39N3O
• Molecular Weight: 409.62 g/mol
• Exact Mass: 409.31
• IUPAC Name: azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
• SMILES: O=C(C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1
• InChI: InChI=1S/C26H39N3O/c30-26(28-13-5-1-2-6-14-28)23-10-7-15-29(20-23)24-11-16-27(17-12-24)25-18-21-8-3-4-9-22(21)19-25/h3-4,8-9,23-25H,1-2,5-7,10-20H2
• InChIKey: IOCXSNIZVMPXIC-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 26.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.62
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The IUPAC name of azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone (CID 45244406) is azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone.

What is the SMILES notation for azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The canonical SMILES for azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is O=C(C1CCCN(C2CCN(C3Cc4ccccc4C3)CC2)C1)N1CCCCCC1.

What is the InChIKey of azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

The InChIKey is IOCXSNIZVMPXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O/c30-26(28-13-5-1-2-6-14-28)23-10-7-15-29(20-23)24-11-16-27(17-12-24)25-18-21-8-3-4-9-22(21)19-25/h3-4,8-9,23-25H,1-2,5-7,10-20H2.

What are the key properties of azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone?

azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone has a molecular weight of 409.62 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for azepan-1-yl-[1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 45244406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).