1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one

C16H24N2O2 — CID 82218931

IUPAC1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)c(O)cn2C2CC2)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-12(2)8-17(7-11)9-14-6-15(19)16(20)10-18(14)13-3-4-13/h6,10-13,20H,3-5,7-9H2,1-2H3
InChIKeyRKRJTCHLTZHCMP-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.37
Rot. Bonds3

About 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one

1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one (PubChem CID 82218931) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one
PubChem CID82218931
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCC1CC(C)CN(Cc2cc(=O)c(O)cn2C2CC2)C1
InChIInChI=1S/C16H24N2O2/c1-11-5-12(2)8-17(7-11)9-14-6-15(19)16(20)10-18(14)13-3-4-13/h6,10-13,20H,3-5,7-9H2,1-2H3
InChIKeyRKRJTCHLTZHCMP-UHFFFAOYSA-N
XLogP2.37
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one (CID 82218931) is 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one is CC1CC(C)CN(Cc2cc(=O)c(O)cn2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one?
The InChIKey is RKRJTCHLTZHCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-5-12(2)8-17(7-11)9-14-6-15(19)16(20)10-18(14)13-3-4-13/h6,10-13,20H,3-5,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one?
1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82218931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).