[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C14H17N5O2 — CID 95824182

IUPAC[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-10-17-13(21-18-10)14(2)4-3-7-19(9-14)12(20)11-8-15-5-6-16-11/h5-6,8H,3-4,7,9H2,1-2H3/t14-/m0/s1
InChIKeyNYHBKVWOZPSPOT-AWEZNQCLSA-N
MW287.32 g/mol
LogP1.36
Rot. Bonds2

About [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95824182) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95824182
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1noc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)n1
InChIInChI=1S/C14H17N5O2/c1-10-17-13(21-18-10)14(2)4-3-7-19(9-14)12(20)11-8-15-5-6-16-11/h5-6,8H,3-4,7,9H2,1-2H3/t14-/m0/s1
InChIKeyNYHBKVWOZPSPOT-AWEZNQCLSA-N
XLogP1.36
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110256988
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110257094
2-hydroxy-1-[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95841858
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125008542
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
ethyl (3R)-3-(2-phenoxyethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 42212234
[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 120864606
ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 95824182) is [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is Cc1noc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)n1.
What is the InChIKey of [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is NYHBKVWOZPSPOT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-10-17-13(21-18-10)14(2)4-3-7-19(9-14)12(20)11-8-15-5-6-16-11/h5-6,8H,3-4,7,9H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95824182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).