methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate

C12H17N3O2 — CID 6469766

IUPACmethyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-14-6-8-15(9-7-14)11-4-2-3-5-13-11/h2-5H,6-10H2,1H3
InChIKeyLBHWAWLBXSBTBD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.38
Rot. Bonds3

About methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate

methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate (PubChem CID 6469766) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
PubChem CID6469766
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemethyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C12H17N3O2/c1-17-12(16)10-14-6-8-15(9-7-14)11-4-2-3-5-13-11/h2-5H,6-10H2,1H3
InChIKeyLBHWAWLBXSBTBD-UHFFFAOYSA-N
XLogP0.38
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
2-tert-butylsulfanylethyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 75458301
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-(4,6-dimethoxypyrimidin-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17496713
methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate (CID 6469766) is methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate is COC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate?
The InChIKey is LBHWAWLBXSBTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12(16)10-14-6-8-15(9-7-14)11-4-2-3-5-13-11/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate?
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate has a molecular weight of 235.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate is sourced from PubChem (CID 6469766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).