1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

C15H25N3O2 — CID 82218906

IUPAC1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCN(C)CCn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-16(2)8-9-18-12-15(20)14(19)10-13(18)11-17-6-4-3-5-7-17/h10,12,20H,3-9,11H2,1-2H3
InChIKeyVTBUCCHUTDWQFJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82218906) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82218906
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCN(C)CCn1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C15H25N3O2/c1-16(2)8-9-18-12-15(20)14(19)10-13(18)11-17-6-4-3-5-7-17/h10,12,20H,3-9,11H2,1-2H3
InChIKeyVTBUCCHUTDWQFJ-UHFFFAOYSA-N
XLogP1.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
5-hydroxy-1-[(4-methylphenyl)methyl]-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960224
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
1-cyclooctyl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 94960122
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
2-[[bis(2-methoxyethyl)amino]methyl]-1-[2-(dimethylamino)ethyl]-5-hydroxypyridin-4-one
CID 82218890
4-[5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-1-pyridinyl]butanoic acid
CID 82218661
2-[2-(azepan-1-ylmethyl)-5-hydroxy-4-oxo-1-pyridinyl]propanoic acid
CID 82218070
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218327

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82218906) is 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is CN(C)CCn1cc(O)c(=O)cc1CN1CCCCC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is VTBUCCHUTDWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-16(2)8-9-18-12-15(20)14(19)10-13(18)11-17-6-4-3-5-7-17/h10,12,20H,3-9,11H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 279.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82218906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).