1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one

C24H29N3O2 — CID 10045991

About 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one (PubChem CID 10045991) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one
• PubChem CID: 10045991
• Molecular Formula: C24H29N3O2
• Molecular Weight: 391.52 g/mol
• Exact Mass: 391.23
• IUPAC Name: 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one
• SMILES: O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
• InChI: InChI=1S/C24H29N3O2/c28-24-6-1-2-13-27(24)21-8-10-23(25-17-21)29-22-9-7-18-11-14-26(20-4-3-5-20)15-12-19(18)16-22/h7-10,16-17,20H,1-6,11-15H2
• InChIKey: YEIQCMOYDGMRQH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 45.67 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.52
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one?

The IUPAC name of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one (CID 10045991) is 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one.

What is the SMILES notation for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one?

The canonical SMILES for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one is O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1.

What is the InChIKey of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one?

The InChIKey is YEIQCMOYDGMRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-24-6-1-2-13-27(24)21-8-10-23(25-17-21)29-22-9-7-18-11-14-26(20-4-3-5-20)15-12-19(18)16-22/h7-10,16-17,20H,1-6,11-15H2.

What are the key properties of 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one?

1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]piperidin-2-one is sourced from PubChem (CID 10045991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).