Clocapramine

C₂₈H₃₇ClN₄O — CID 2793

About Clocapramine

Clocapramine (PubChem CID 2793) has the molecular formula C₂₈H₃₇ClN₄O and a molecular weight of 481.08 g/mol. Its IUPAC name is 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: Clocapramine
• PubChem CID: 2793
• Molecular Formula: C₂₈H₃₇ClN₄O
• Molecular Weight: 481.08 g/mol
• Exact Mass: 480.27
• IUPAC Name: 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
• SMILES: NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1
• InChI: InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34)
• InChIKey: QAZKXHSIKKNOHH-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 52.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.08
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Clocapramine?

The IUPAC name of Clocapramine (CID 2793) is 1-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide.

What is the SMILES notation for Clocapramine?

The canonical SMILES for Clocapramine is NC(=O)C1(N2CCCCC2)CCN(CCCN2c3ccccc3CCc3ccc(Cl)cc32)CC1.

What is the InChIKey of Clocapramine?

The InChIKey is QAZKXHSIKKNOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O/c29-24-12-11-23-10-9-22-7-2-3-8-25(22)33(26(23)21-24)18-6-15-31-19-13-28(14-20-31,27(30)34)32-16-4-1-5-17-32/h2-3,7-8,11-12,21H,1,4-6,9-10,13-20H2,(H2,30,34).

What are the key properties of Clocapramine?

Clocapramine has a molecular weight of 481.08 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Clocapramine is sourced from PubChem (CID 2793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2793 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 687 — approved-drug record (CC BY-SA 4.0)

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