2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

C24H32N4O2 — CID 124997525

About 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 124997525) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 124997525
• Molecular Formula: C24H32N4O2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.25
• IUPAC Name: 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1
• InChI: InChI=1S/C24H32N4O2/c1-18-8-6-14-25-23(18)27-21-11-5-10-20(26-21)19-9-7-15-28(17-19)22(29)16-24(30)12-3-2-4-13-24/h5-6,8,10-11,14,19,30H,2-4,7,9,12-13,15-17H2,1H3,(H,25,26,27)/t19-/m0/s1
• InChIKey: RAVNFTBQNQGWAQ-IBGZPJMESA-N
• XLogP: 4.32
• TPSA: 78.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (CID 124997525) is 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)n1.

What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

The InChIKey is RAVNFTBQNQGWAQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-8-6-14-25-23(18)27-21-11-5-10-20(26-21)19-9-7-15-28(17-19)22(29)16-24(30)12-3-2-4-13-24/h5-6,8,10-11,14,19,30H,2-4,7,9,12-13,15-17H2,1H3,(H,25,26,27)/t19-/m0/s1.

What are the key properties of 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?

2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 408.55 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124997525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).