(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone

C25H26ClN3O2 — CID 90350036

About (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone

(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone (PubChem CID 90350036) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

• Compound Name: (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone
• PubChem CID: 90350036
• Molecular Formula: C25H26ClN3O2
• Molecular Weight: 435.96 g/mol
• Exact Mass: 435.17
• IUPAC Name: (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone
• SMILES: O=C(c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCCCc3cc(Cl)ccc32)CC1
• InChI: InChI=1S/C25H26ClN3O2/c26-19-8-9-23-18(15-19)5-3-4-12-29(23)24(30)17-10-13-28(14-11-17)25(31)21-16-27-22-7-2-1-6-20(21)22/h1-2,6-9,15-17,27H,3-5,10-14H2
• InChIKey: HVDICCQFZHXZDV-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 56.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.96
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone?

The IUPAC name of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone (CID 90350036) is (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone.

What is the SMILES notation for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone?

The canonical SMILES for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone is O=C(c1c[nH]c2ccccc12)N1CCC(C(=O)N2CCCCc3cc(Cl)ccc32)CC1.

What is the InChIKey of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone?

The InChIKey is HVDICCQFZHXZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c26-19-8-9-23-18(15-19)5-3-4-12-29(23)24(30)17-10-13-28(14-11-17)25(31)21-16-27-22-7-2-1-6-20(21)22/h1-2,6-9,15-17,27H,3-5,10-14H2.

What are the key properties of (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone?

(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone has a molecular weight of 435.96 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-[1-(1H-indole-3-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 90350036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).