[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

IUPAC[1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-4-[(2-methylcyclohexyl)amino]piperidin-3-yl]methanol
SMILESCc1noc(-c2cc(C)c(C)nc2N2CCC(NC3CCCCC3C)C(CO)C2)n1
InChIInChI=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
InChIKeyRHOCANMSAKRZNP-UHFFFAOYSA-N
MW413.57 g/mol
LogP3.41
Rot. Bonds5

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 CID118263788
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
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
SMILESCc1noc(-c2cc(C)c(C)nc2N2CCC(NC3CCCCC3C)C(CO)C2)n1
InChIInChI=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
InChIKeyRHOCANMSAKRZNP-UHFFFAOYSA-N
XLogP3.41
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).