1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one

C16H27N3O2 — CID 82217959

IUPAC1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCN(CC)CC1
InChIInChI=1S/C16H27N3O2/c1-4-13(3)19-12-16(21)15(20)10-14(19)11-18-8-6-17(5-2)7-9-18/h10,12-13,21H,4-9,11H2,1-3H3
InChIKeyISJXLGLNEOFAAR-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.66
Rot. Bonds5

About 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one

1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one (PubChem CID 82217959) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
PubChem CID82217959
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCN(CC)CC1
InChIInChI=1S/C16H27N3O2/c1-4-13(3)19-12-16(21)15(20)10-14(19)11-18-8-6-17(5-2)7-9-18/h10,12-13,21H,4-9,11H2,1-3H3
InChIKeyISJXLGLNEOFAAR-UHFFFAOYSA-N
XLogP1.66
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165444
5-Hydroxy-2-methyl-1-(1-methylpiperidin-4-yl)pyridin-4-one
CID 130407878
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
4(1h)-Pyridinone,1-[2-(dimethylamino)ethyl]-2-ethyl-3-hydroxy-
CID 24881318
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-methyl-2-[2,2,2-trifluoro-1-(4-methylpiperazin-1-yl)ethyl]pyridin-4(1H)-one
CID 70895858
2-[2,2-Difluoro-1-(4-methylpiperazin-1-yl)propyl]-3-hydroxy-1-methylpyridin-4-one
CID 70935172

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The IUPAC name of 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one (CID 82217959) is 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The canonical SMILES for 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN1CCN(CC)CC1.
What is the InChIKey of 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
The InChIKey is ISJXLGLNEOFAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-13(3)19-12-16(21)15(20)10-14(19)11-18-8-6-17(5-2)7-9-18/h10,12-13,21H,4-9,11H2,1-3H3.
What are the key properties of 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one?
1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one has a molecular weight of 293.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxypyridin-4-one is sourced from PubChem (CID 82217959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).