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

C17H28N2O2 — CID 82218327

IUPAC5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
SMILESCCCCCn1cc(O)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-8-19-13-17(21)16(20)11-15(19)12-18-9-6-14(2)7-10-18/h11,13-14,21H,3-10,12H2,1-2H3
InChIKeySXRYBHAVXOQOMF-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.98
Rot. Bonds6

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

5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one (PubChem CID 82218327) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
PubChem CID82218327
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one
SMILESCCCCCn1cc(O)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C17H28N2O2/c1-3-4-5-8-19-13-17(21)16(20)11-15(19)12-18-9-6-14(2)7-10-18/h11,13-14,21H,3-10,12H2,1-2H3
InChIKeySXRYBHAVXOQOMF-UHFFFAOYSA-N
XLogP2.98
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
CID 82218336
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-(3-propan-2-yloxypropyl)pyridin-4-one
CID 94960570
5-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1-propylpyridin-4-one
CID 82218115
1-[4-(dimethylamino)butyl]-5-hydroxy-2-(morpholin-4-ylmethyl)pyridin-4-one
CID 94960996
5-hydroxy-1-(2-hydroxyethyl)-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]pyridin-4-one
CID 82217995
1-[[1-(carboxymethyl)-5-hydroxy-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
CID 94959672
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-[(3-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82218887
1-butyl-3-hydroxy-6-methyl-2-[(4-methylpiperidin-1-yl)methyl]pyridin-4-one
CID 82217363
1-[2-(dimethylamino)ethyl]-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
CID 82218906
1-butyl-2-[(dipropylamino)methyl]-5-hydroxypyridin-4-one
CID 82218171
5-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyridin-4-one
CID 94959515
5-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
CID 94960399

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one (CID 82218327) is 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one is CCCCCn1cc(O)c(=O)cc1CN1CCC(C)CC1.
What is the InChIKey of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one?
The InChIKey is SXRYBHAVXOQOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-5-8-19-13-17(21)16(20)11-15(19)12-18-9-6-14(2)7-10-18/h11,13-14,21H,3-10,12H2,1-2H3.
What are the key properties of 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one?
5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methylpiperidin-1-yl)methyl]-1-pentylpyridin-4-one is sourced from PubChem (CID 82218327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).