methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate

C17H21N5O5 — CID 91950909

IUPACmethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C17H21N5O5/c1-11-19-15(27-20-11)13-9-18-10-22(16(13)24)8-5-14(23)21-6-3-12(4-7-21)17(25)26-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYHGDOORJQYKRSU-UHFFFAOYSA-N
MW375.39 g/mol
LogP0.40
Rot. Bonds5

About methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate

methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate (PubChem CID 91950909) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
PubChem CID91950909
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Namemethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C17H21N5O5/c1-11-19-15(27-20-11)13-9-18-10-22(16(13)24)8-5-14(23)21-6-3-12(4-7-21)17(25)26-2/h9-10,12H,3-8H2,1-2H3
InChIKeyYHGDOORJQYKRSU-UHFFFAOYSA-N
XLogP0.40
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 91950824
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
3-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950950
methyl 1-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]piperidine-4-carboxylate
CID 51328494
ethyl 1-[3-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoyl]piperidine-4-carboxylate
CID 27555421
methyl 1-(5-hydroxypentanoyl)piperidine-4-carboxylate
CID 79199255
2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrimidin-4-one
CID 91950920
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
methyl 1-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-4-carboxylate
CID 51238602
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 55506189
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate (CID 91950909) is methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1.
What is the InChIKey of methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The InChIKey is YHGDOORJQYKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-11-19-15(27-20-11)13-9-18-10-22(16(13)24)8-5-14(23)21-6-3-12(4-7-21)17(25)26-2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate has a molecular weight of 375.39 g/mol, XLogP of 0.40, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 91950909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).