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

C16H27N3O2 — CID 82218336

IUPAC5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
SMILESCCCCCn1cc(O)c(=O)cc1CN1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-19-13-16(21)15(20)11-14(19)12-18-9-7-17(2)8-10-18/h11,13,21H,3-10,12H2,1-2H3
InChIKeyACMNHDPWXSCYSY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.49
Rot. Bonds6

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

5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one (PubChem CID 82218336) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
PubChem CID82218336
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one
SMILESCCCCCn1cc(O)c(=O)cc1CN1CCN(C)CC1
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-19-13-16(21)15(20)11-14(19)12-18-9-7-17(2)8-10-18/h11,13,21H,3-10,12H2,1-2H3
InChIKeyACMNHDPWXSCYSY-UHFFFAOYSA-N
XLogP1.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one?
The IUPAC name of 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one (CID 82218336) is 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one.
What is the SMILES notation for 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one?
The canonical SMILES for 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one is CCCCCn1cc(O)c(=O)cc1CN1CCN(C)CC1.
What is the InChIKey of 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one?
The InChIKey is ACMNHDPWXSCYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-5-6-19-13-16(21)15(20)11-14(19)12-18-9-7-17(2)8-10-18/h11,13,21H,3-10,12H2,1-2H3.
What are the key properties of 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one?
5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one has a molecular weight of 293.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]-1-pentylpyridin-4-one is sourced from PubChem (CID 82218336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).