5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one

C16H19N3O3 — CID 120755423

IUPAC5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
SMILESCOc1coc(CN2CCNCC2c2cccnc2)cc1=O
InChIInChI=1S/C16H19N3O3/c1-21-16-11-22-13(7-15(16)20)10-19-6-5-18-9-14(19)12-3-2-4-17-8-12/h2-4,7-8,11,14,18H,5-6,9-10H2,1H3
InChIKeyJIAOABJYGSIIJP-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.19
Rot. Bonds4

About 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one

5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one (PubChem CID 120755423) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
PubChem CID120755423
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one
SMILESCOc1coc(CN2CCNCC2c2cccnc2)cc1=O
InChIInChI=1S/C16H19N3O3/c1-21-16-11-22-13(7-15(16)20)10-19-6-5-18-9-14(19)12-3-2-4-17-8-12/h2-4,7-8,11,14,18H,5-6,9-10H2,1H3
InChIKeyJIAOABJYGSIIJP-UHFFFAOYSA-N
XLogP1.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxy-3-methylphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767890
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754788
1-[(3-bromo-4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120767798
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754750
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120767853
1-[(2-ethylpyrazol-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120767944
2-pyridin-3-yl-1-[(2,4,5-trimethylphenyl)methyl]piperazine
CID 120768364
1-(1-benzofuran-2-ylmethyl)-2-pyridin-3-ylpiperazine
CID 120767732
2-(2-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120754903
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one?
The IUPAC name of 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one (CID 120755423) is 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one is COc1coc(CN2CCNCC2c2cccnc2)cc1=O.
What is the InChIKey of 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one?
The InChIKey is JIAOABJYGSIIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-16-11-22-13(7-15(16)20)10-19-6-5-18-9-14(19)12-3-2-4-17-8-12/h2-4,7-8,11,14,18H,5-6,9-10H2,1H3.
What are the key properties of 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one?
5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one has a molecular weight of 301.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2-pyridin-3-ylpiperazin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 120755423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).