methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate

C19H23N3O4 — CID 22248539

IUPACmethyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H23N3O4/c1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23)
InChIKeyOLXBRSXWSBIBIE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate

methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate (PubChem CID 22248539) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
PubChem CID22248539
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Namemethyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1
InChIInChI=1S/C19H23N3O4/c1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23)
InChIKeyOLXBRSXWSBIBIE-UHFFFAOYSA-N
XLogP1.85
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate with MolForge

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Related Compounds

3-[[3-[(2-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazin-2-one;oxalic acid
CID 22248542
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
3-[[4-[2-fluoro-2-(2-fluorophenyl)ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22247962
5-fluoro-3-[[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248535
methyl 2-[4-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429396
3-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 58018996
methyl 2-[(4-methylazepan-1-yl)methyl]pyridine-3-carboxylate
CID 114198518
3-[[4-[2-(2-fluorophenyl)-1-hydroxyethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248430
methyl 2-[(4-ethylpiperazin-1-yl)methyl]pyridine-3-carboxylate
CID 114198428
3-[[4-[2-(2,3-difluorophenyl)acetyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248546
3-[[4-[2-(2-fluorophenyl)-1-nitrosoethyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 90806834

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate?
The IUPAC name of methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate (CID 22248539) is methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate is COC(=O)c1ccccc1OCC1CCN(Cc2ncc[nH]c2=O)CC1.
What is the InChIKey of methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate?
The InChIKey is OLXBRSXWSBIBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-25-19(24)15-4-2-3-5-17(15)26-13-14-6-10-22(11-7-14)12-16-18(23)21-9-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,21,23).
What are the key properties of methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate?
methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate has a molecular weight of 357.41 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-oxo-1H-pyrazin-3-yl)methyl]piperidin-4-yl]methoxy]benzoate is sourced from PubChem (CID 22248539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).