(3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C22H30N4O2S — CID 132766420

About (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone

(3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 132766420) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 132766420
• Molecular Formula: C22H30N4O2S
• Molecular Weight: 414.58 g/mol
• Exact Mass: 414.21
• IUPAC Name: (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: COC1CCCC(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1
• InChI: InChI=1S/C22H30N4O2S/c1-15-14-23-22(29-15)25-20-8-4-7-19(24-20)16-9-11-26(12-10-16)21(27)17-5-3-6-18(13-17)28-2/h4,7-8,14,16-18H,3,5-6,9-13H2,1-2H3,(H,23,24,25)
• InChIKey: PMUUMWVGFWZTPR-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.58
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The IUPAC name of (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 132766420) is (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

What is the SMILES notation for (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The canonical SMILES for (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is COC1CCCC(C(=O)N2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)C1.

What is the InChIKey of (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

The InChIKey is PMUUMWVGFWZTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-15-14-23-22(29-15)25-20-8-4-7-19(24-20)16-9-11-26(12-10-16)21(27)17-5-3-6-18(13-17)28-2/h4,7-8,14,16-18H,3,5-6,9-13H2,1-2H3,(H,23,24,25).

What are the key properties of (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone?

(3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 414.58 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 132766420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).