[1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol

C₂₃H₃₅N₅O₂ — CID 118263788

About [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol

[1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol (PubChem CID 118263788) has the molecular formula C₂₃H₃₅N₅O₂ and a molecular weight of 413.57 g/mol. Its IUPAC name is [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol.

Molecular Properties

• Compound Name: [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol
• PubChem CID: 118263788
• Molecular Formula: C₂₃H₃₅N₅O₂
• Molecular Weight: 413.57 g/mol
• Exact Mass: 413.28
• IUPAC Name: [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol
• SMILES: Cc1noc(-c2cc(C)c(C)nc2N2CCC(NC3CCCCC3C)C(CO)C2)n1
• InChI: InChI=1S/C23H35N5O2/c1-14-7-5-6-8-20(14)26-21-9-10-28(12-18(21)13-29)22-19(11-15(2)16(3)24-22)23-25-17(4)27-30-23/h11,14,18,20-21,26,29H,5-10,12-13H2,1-4H3
• InChIKey: RHOCANMSAKRZNP-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 87.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.57
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol?

The IUPAC name of [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol (CID 118263788) is [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol.

What is the SMILES notation for [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol?

The canonical SMILES for [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol is Cc1noc(-c2cc(C)c(C)nc2N2CCC(NC3CCCCC3C)C(CO)C2)n1.

What is the InChIKey of [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol?

The InChIKey is RHOCANMSAKRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-14-7-5-6-8-20(14)26-21-9-10-28(12-18(21)13-29)22-19(11-15(2)16(3)24-22)23-25-17(4)27-30-23/h11,14,18,20-21,26,29H,5-10,12-13H2,1-4H3.

What are the key properties of [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol?

[1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol has a molecular weight of 413.57 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol is sourced from PubChem (CID 118263788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118263788 — identifiers, structure, computed properties (public domain)

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