methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate

C15H23N3O3 — CID 62928174

IUPACmethyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate
SMILESCCCn1ccnc(N2CCCCC2CC(=O)OC)c1=O
InChIInChI=1S/C15H23N3O3/c1-3-8-17-10-7-16-14(15(17)20)18-9-5-4-6-12(18)11-13(19)21-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyXNYSKTNAYQMEBX-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate

methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate (PubChem CID 62928174) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate
PubChem CID62928174
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate
SMILESCCCn1ccnc(N2CCCCC2CC(=O)OC)c1=O
InChIInChI=1S/C15H23N3O3/c1-3-8-17-10-7-16-14(15(17)20)18-9-5-4-6-12(18)11-13(19)21-2/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyXNYSKTNAYQMEBX-UHFFFAOYSA-N
XLogP1.58
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[1-(3-methylpyrazin-2-yl)piperidin-2-yl]acetate
CID 83063502
3-[2-(3-aminopropyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 63759679
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
1-propyl-3-[3-(propylaminomethyl)morpholin-4-yl]pyrazin-2-one
CID 83105741
methyl 2-[1-(2-methylpyrimidin-4-yl)piperidin-2-yl]acetate
CID 62771827
3-(2-ethylpiperazin-1-yl)-1-propylpyrazin-2-one
CID 63600952
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
methyl 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-2-yl]acetate
CID 64585502
3-[2-(chloromethyl)azepan-1-yl]-1-methylpyrazin-2-one
CID 116638887
3-(4-amino-2-methylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 115313461
3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 138002181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate (CID 62928174) is methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate is CCCn1ccnc(N2CCCCC2CC(=O)OC)c1=O.
What is the InChIKey of methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate?
The InChIKey is XNYSKTNAYQMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-8-17-10-7-16-14(15(17)20)18-9-5-4-6-12(18)11-13(19)21-2/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate?
methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate has a molecular weight of 293.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-oxo-4-propylpyrazin-2-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 62928174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).