3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

C18H15N5O2 — CID 100650587

IUPAC3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C18H15N5O2/c19-10-13-3-1-4-14(9-13)18(24)23-8-2-5-15(12-23)25-17-16(11-20)21-6-7-22-17/h1,3-4,6-7,9,15H,2,5,8,12H2/t15-/m0/s1
InChIKeyZEFXKQDEOFEASB-HNNXBMFYSA-N
MW333.35 g/mol
LogP1.90
Rot. Bonds3

About 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile

3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (PubChem CID 100650587) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
PubChem CID100650587
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
SMILESN#Cc1cccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1
InChIInChI=1S/C18H15N5O2/c19-10-13-3-1-4-14(9-13)18(24)23-8-2-5-15(12-23)25-17-16(11-20)21-6-7-22-17/h1,3-4,6-7,9,15H,2,5,8,12H2/t15-/m0/s1
InChIKeyZEFXKQDEOFEASB-HNNXBMFYSA-N
XLogP1.90
TPSA102.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627966
3-[1-(3-bromobenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636527
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91627978
3-[1-[3-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636546
3-[1-[3-(tetrazol-1-yl)benzoyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636445
3-[1-(6-ethoxypyridine-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628047
3-[1-(3,4-dimethoxybenzoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636515
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696
3-[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650467
3-[1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626761
3-[(3S)-1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100649784

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The IUPAC name of 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile (CID 100650587) is 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is N#Cc1cccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1.
What is the InChIKey of 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
The InChIKey is ZEFXKQDEOFEASB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15N5O2/c19-10-13-3-1-4-14(9-13)18(24)23-8-2-5-15(12-23)25-17-16(11-20)21-6-7-22-17/h1,3-4,6-7,9,15H,2,5,8,12H2/t15-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile?
3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile has a molecular weight of 333.35 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-cyanobenzoyl)piperidin-3-yl]oxypyrazine-2-carbonitrile is sourced from PubChem (CID 100650587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).