3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile

C14H19N5O — CID 172905390

IUPAC3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-10-13-14(17-4-3-16-13)19-5-1-2-12(11-19)18-6-8-20-9-7-18/h3-4,12H,1-2,5-9,11H2
InChIKeyVAYOLLDZFKGHDS-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.65
Rot. Bonds2

About 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile

3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile (PubChem CID 172905390) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
PubChem CID172905390
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C14H19N5O/c15-10-13-14(17-4-3-16-13)19-5-1-2-12(11-19)18-6-8-20-9-7-18/h3-4,12H,1-2,5-9,11H2
InChIKeyVAYOLLDZFKGHDS-UHFFFAOYSA-N
XLogP0.65
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
4-[1-(3-chloropyrazin-2-yl)pyrrolidin-3-yl]morpholine
CID 63171427
5-amino-2-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 63168667
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-[(4aS,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]pyrazine-2-carbonitrile
CID 129447030
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 55104922
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 91406817
4-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]morpholine
CID 172905301

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile (CID 172905390) is 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
The InChIKey is VAYOLLDZFKGHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c15-10-13-14(17-4-3-16-13)19-5-1-2-12(11-19)18-6-8-20-9-7-18/h3-4,12H,1-2,5-9,11H2.
What are the key properties of 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile?
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile has a molecular weight of 273.34 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 172905390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).