[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

C31H35N3O2 — CID 22263182

About [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone

[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 22263182) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
• PubChem CID: 22263182
• Molecular Formula: C31H35N3O2
• Molecular Weight: 481.64 g/mol
• Exact Mass: 481.27
• IUPAC Name: [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone
• SMILES: O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CC=CCC3)C2)CC1
• InChI: InChI=1S/C31H35N3O2/c35-30(32-16-6-1-7-17-32)25-11-8-18-34(22-25)26-14-19-33(20-15-26)31(36)29-27-12-4-2-9-23(27)21-24-10-3-5-13-28(24)29/h1-6,9-10,12-13,21,25-26H,7-8,11,14-20,22H2
• InChIKey: HHROVAZZTQHZSA-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.64
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The IUPAC name of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone (CID 22263182) is [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone.

What is the SMILES notation for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The canonical SMILES for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCCC(C(=O)N3CC=CCC3)C2)CC1.

What is the InChIKey of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

The InChIKey is HHROVAZZTQHZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c35-30(32-16-6-1-7-17-32)25-11-8-18-34(22-25)26-14-19-33(20-15-26)31(36)29-27-12-4-2-9-23(27)21-24-10-3-5-13-28(24)29/h1-6,9-10,12-13,21,25-26H,7-8,11,14-20,22H2.

What are the key properties of [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone?

[1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 481.64 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-(anthracene-9-carbonyl)piperidin-4-yl]piperidin-3-yl]-(3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 22263182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).