5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide

C29H29N5O3 — CID 70872642

About 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide

5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide (PubChem CID 70872642) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide
• PubChem CID: 70872642
• Molecular Formula: C29H29N5O3
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.23
• IUPAC Name: 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide
• SMILES: Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)Nc1ccc(N2CC(O)C2)nc1
• InChI: InChI=1S/C29H29N5O3/c1-19-2-5-23(29(37)33-12-10-22(11-13-33)21-6-3-20(15-30)4-7-21)14-26(19)28(36)32-24-8-9-27(31-16-24)34-17-25(35)18-34/h2-9,14,16,22,25,35H,10-13,17-18H2,1H3,(H,32,36)
• InChIKey: RCGOTUAUBUPFTI-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 109.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide?

The IUPAC name of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide (CID 70872642) is 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide.

What is the SMILES notation for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide?

The canonical SMILES for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1C(=O)Nc1ccc(N2CC(O)C2)nc1.

What is the InChIKey of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide?

The InChIKey is RCGOTUAUBUPFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-19-2-5-23(29(37)33-12-10-22(11-13-33)21-6-3-20(15-30)4-7-21)14-26(19)28(36)32-24-8-9-27(31-16-24)34-17-25(35)18-34/h2-9,14,16,22,25,35H,10-13,17-18H2,1H3,(H,32,36).

What are the key properties of 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide?

5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide has a molecular weight of 495.58 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-2-methylbenzamide is sourced from PubChem (CID 70872642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).