1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

C15H24N2O2 — CID 82217976

IUPAC1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)17-11-15(19)14(18)9-13(17)10-16-7-5-4-6-8-16/h9,11-12,19H,3-8,10H2,1-2H3
InChIKeyJKEJCWCKKSEINB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds4

About 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one

1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (PubChem CID 82217976) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
PubChem CID82217976
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C15H24N2O2/c1-3-12(2)17-11-15(19)14(18)9-13(17)10-16-7-5-4-6-8-16/h9,11-12,19H,3-8,10H2,1-2H3
InChIKeyJKEJCWCKKSEINB-UHFFFAOYSA-N
XLogP2.51
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165444
1-Cyclohexyl-5-hydroxy-2-methylpyridin-4-one
CID 130407983
5-Hydroxy-2-methyl-1-(1-methylpiperidin-4-yl)pyridin-4-one
CID 130407878
1-(1-Acetylpiperidin-4-yl)-5-hydroxy-2-methylpyridin-4-one
CID 130407917
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155518634
3-Hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one
CID 10267310
2-Ethyl-3-hydroxy-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone
CID 10621600
3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881323
5-Hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881391
5-Hydroxy-1-[2-(1-piperidinyl)ethyl]-2-(1-piperidinylmethyl)-4(1H)-pyridinone
CID 24881393
3-hydroxy-1-methyl-2,6-bis(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 71754436
3-Hydroxy-1,6-dimethyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-4-one
CID 162673301

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The IUPAC name of 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one (CID 82217976) is 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN1CCCCC1.
What is the InChIKey of 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
The InChIKey is JKEJCWCKKSEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-12(2)17-11-15(19)14(18)9-13(17)10-16-7-5-4-6-8-16/h9,11-12,19H,3-8,10H2,1-2H3.
What are the key properties of 1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one?
1-butan-2-yl-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one has a molecular weight of 264.37 g/mol, XLogP of 2.51, 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-5-hydroxy-2-(piperidin-1-ylmethyl)pyridin-4-one is sourced from PubChem (CID 82217976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).