2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

C13H19N3O2 — CID 46684654

IUPAC2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-11-13(17)16-7-5-15(6-8-16)10-12-3-2-4-14-9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyICFPPBHLWMLSQI-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.37
Rot. Bonds4

About 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone

2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 46684654) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID46684654
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C13H19N3O2/c1-18-11-13(17)16-7-5-15(6-8-16)10-12-3-2-4-14-9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyICFPPBHLWMLSQI-UHFFFAOYSA-N
XLogP0.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
1-[(3aS,6aS)-2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methoxyethanone
CID 97376869
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
1-[3-ethyl-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110876658
2-phenylmethoxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70721631
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185
2-methoxy-1-[4-(methoxymethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 133135692
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
9-(2-methoxyacetyl)-3-methyl-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134077063
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone (CID 46684654) is 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is COCC(=O)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is ICFPPBHLWMLSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-11-13(17)16-7-5-15(6-8-16)10-12-3-2-4-14-9-12/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone?
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 46684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).