1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

C20H25N3O3 — CID 56740105

IUPAC1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3c(C)cccc3=O)CC2)nc1
InChIInChI=1S/C20H25N3O3/c1-15-6-7-17(21-14-15)20(26)9-12-22(13-10-20)18(24)8-11-23-16(2)4-3-5-19(23)25/h3-7,14,26H,8-13H2,1-2H3
InChIKeyGHKYLDGKKJTFFJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.76
Rot. Bonds4

About 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 56740105) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID56740105
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1ccc(C2(O)CCN(C(=O)CCn3c(C)cccc3=O)CC2)nc1
InChIInChI=1S/C20H25N3O3/c1-15-6-7-17(21-14-15)20(26)9-12-22(13-10-20)18(24)8-11-23-16(2)4-3-5-19(23)25/h3-7,14,26H,8-13H2,1-2H3
InChIKeyGHKYLDGKKJTFFJ-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 56740105) is 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is Cc1ccc(C2(O)CCN(C(=O)CCn3c(C)cccc3=O)CC2)nc1.
What is the InChIKey of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is GHKYLDGKKJTFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-6-7-17(21-14-15)20(26)9-12-22(13-10-20)18(24)8-11-23-16(2)4-3-5-19(23)25/h3-7,14,26H,8-13H2,1-2H3.
What are the key properties of 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56740105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).