1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

C18H28N2O2 — CID 82218445

IUPAC1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-14-7-5-6-10-19(14)12-16-11-17(21)18(22)13-20(16)15-8-3-2-4-9-15/h11,13-15,22H,2-10,12H2,1H3
InChIKeyUXGQAVMTPGOBJC-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.43
Rot. Bonds3

About 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82218445) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82218445
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-14-7-5-6-10-19(14)12-16-11-17(21)18(22)13-20(16)15-8-3-2-4-9-15/h11,13-15,22H,2-10,12H2,1H3
InChIKeyUXGQAVMTPGOBJC-UHFFFAOYSA-N
XLogP3.43
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82218445) is 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is CC1CCCCN1Cc1cc(=O)c(O)cn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is UXGQAVMTPGOBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-7-5-6-10-19(14)12-16-11-17(21)18(22)13-20(16)15-8-3-2-4-9-15/h11,13-15,22H,2-10,12H2,1H3.
What are the key properties of 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 304.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82218445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).