methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate

C14H19N3O3 — CID 61009273

IUPACmethyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C14H19N3O3/c1-10-8-16-12(9-15-10)14(19)17-6-4-3-5-11(17)7-13(18)20-2/h8-9,11H,3-7H2,1-2H3
InChIKeyRSMLZTBNJVIJIO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.34
Rot. Bonds3

About methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate (PubChem CID 61009273) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
PubChem CID61009273
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)c1cnc(C)cn1
InChIInChI=1S/C14H19N3O3/c1-10-8-16-12(9-15-10)14(19)17-6-4-3-5-11(17)7-13(18)20-2/h8-9,11H,3-7H2,1-2H3
InChIKeyRSMLZTBNJVIJIO-UHFFFAOYSA-N
XLogP1.34
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
CID 114284658
[2-(2-hydroxypropyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 79552839
methyl 2-[1-(5-amino-2-methylpyridine-3-carbonyl)piperidin-2-yl]acetate
CID 61138572
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
[2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70756795
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
1-(5-methylpyrazine-2-carbonyl)piperidine-2-carbonitrile
CID 114031881
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate (CID 61009273) is methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)c1cnc(C)cn1.
What is the InChIKey of methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate?
The InChIKey is RSMLZTBNJVIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-8-16-12(9-15-10)14(19)17-6-4-3-5-11(17)7-13(18)20-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate has a molecular weight of 277.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61009273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).