3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid

C13H16N4O2 — CID 55104922

IUPAC3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
SMILESN#Cc1nccnc1N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H16N4O2/c14-8-11-13(16-6-5-15-11)17-7-1-2-10(9-17)3-4-12(18)19/h5-6,10H,1-4,7,9H2,(H,18,19)
InChIKeyPFTSPABIQFBZAA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.43
Rot. Bonds4

About 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid

3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid (PubChem CID 55104922) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
PubChem CID55104922
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
SMILESN#Cc1nccnc1N1CCCC(CCC(=O)O)C1
InChIInChI=1S/C13H16N4O2/c14-8-11-13(16-6-5-15-11)17-7-1-2-10(9-17)3-4-12(18)19/h5-6,10H,1-4,7,9H2,(H,18,19)
InChIKeyPFTSPABIQFBZAA-UHFFFAOYSA-N
XLogP1.43
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]propanoic acid
CID 83064668
3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283854
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 63241718
3-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 104605891
3-[1-(5-chloro-2-cyanophenyl)piperidin-3-yl]propanoic acid
CID 63083625
3-[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]propanoic acid
CID 65270092
3-[(3S)-3-anilinopiperidin-1-yl]pyrazine-2-carbonitrile
CID 97082744
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429
2-N-[[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]methyl]-4-methylpyridine-2,5-dicarboxamide
CID 166319688
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-[1-(3-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]propanoic acid
CID 62476675
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid (CID 55104922) is 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid is N#Cc1nccnc1N1CCCC(CCC(=O)O)C1.
What is the InChIKey of 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid?
The InChIKey is PFTSPABIQFBZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-11-13(16-6-5-15-11)17-7-1-2-10(9-17)3-4-12(18)19/h5-6,10H,1-4,7,9H2,(H,18,19).
What are the key properties of 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid?
3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid has a molecular weight of 260.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 55104922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).