piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid

C17H26N4O6 — CID 159112921

IUPACpiperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
SMILESO=C(O)C1CCCNC1.O=C(O)[C@@H]1CCCNC1.O=C(O)c1cnccn1
InChIInChI=1S/2C6H11NO2.C5H4N2O2/c2*8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4/h2*5,7H,1-4H2,(H,8,9);1-3H,(H,8,9)/t5-;;/m1../s1
InChIKeyKESLDSUXIYQYFV-ZJIMSODOSA-N
MW382.42 g/mol
LogP0.32
Rot. Bonds3

About piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid

piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid (PubChem CID 159112921) has the molecular formula C17H26N4O6 and a molecular weight of 382.42 g/mol. Its IUPAC name is piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid.

Molecular Properties

Compound Namepiperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
PubChem CID159112921
Molecular FormulaC17H26N4O6
Molecular Weight382.42 g/mol
Exact Mass382.19
IUPAC Namepiperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid
SMILESO=C(O)C1CCCNC1.O=C(O)[C@@H]1CCCNC1.O=C(O)c1cnccn1
InChIInChI=1S/2C6H11NO2.C5H4N2O2/c2*8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4/h2*5,7H,1-4H2,(H,8,9);1-3H,(H,8,9)/t5-;;/m1../s1
InChIKeyKESLDSUXIYQYFV-ZJIMSODOSA-N
XLogP0.32
TPSA161.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrazine-2-carboxamide
CID 97164409
N-methyl-N-(piperidin-3-ylmethyl)pyrazine-2-carboxamide
CID 71642090
oxadiazole;piperidine-3-carboxylic acid
CID 157377265
(2S)-1-(2-oxo-2-pyrazin-2-ylethyl)piperazine-2-carboxylic acid
CID 97166506
(3-methylpiperidin-4-yl)-pyrazin-2-ylmethanone
CID 130516301

Frequently Asked Questions

What is the IUPAC name of piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid?
The IUPAC name of piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid (CID 159112921) is piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid.
What is the SMILES notation for piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid?
The canonical SMILES for piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid is O=C(O)C1CCCNC1.O=C(O)[C@@H]1CCCNC1.O=C(O)c1cnccn1.
What is the InChIKey of piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid?
The InChIKey is KESLDSUXIYQYFV-ZJIMSODOSA-N. The full InChI is InChI=1S/2C6H11NO2.C5H4N2O2/c2*8-6(9)5-2-1-3-7-4-5;8-5(9)4-3-6-1-2-7-4/h2*5,7H,1-4H2,(H,8,9);1-3H,(H,8,9)/t5-;;/m1../s1.
What are the key properties of piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid?
piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid has a molecular weight of 382.42 g/mol, XLogP of 0.32, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-3-carboxylic acid;(3R)-piperidine-3-carboxylic acid;pyrazine-2-carboxylic acid is sourced from PubChem (CID 159112921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).