1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

C17H28N2O2 — CID 82217123

IUPAC1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1C
InChIInChI=1S/C17H28N2O2/c1-5-12(2)19-14(4)10-16(20)17(21)15(19)11-18-9-7-6-8-13(18)3/h10,12-13,21H,5-9,11H2,1-4H3
InChIKeyBEPSQVZUCNWOEC-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.21
Rot. Bonds4

About 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217123) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217123
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1C
InChIInChI=1S/C17H28N2O2/c1-5-12(2)19-14(4)10-16(20)17(21)15(19)11-18-9-7-6-8-13(18)3/h10,12-13,21H,5-9,11H2,1-4H3
InChIKeyBEPSQVZUCNWOEC-UHFFFAOYSA-N
XLogP3.21
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217123) is 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is CCC(C)n1c(C)cc(=O)c(O)c1CN1CCCCC1C.
What is the InChIKey of 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is BEPSQVZUCNWOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-12(2)19-14(4)10-16(20)17(21)15(19)11-18-9-7-6-8-13(18)3/h10,12-13,21H,5-9,11H2,1-4H3.
What are the key properties of 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).