(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid

C11H12N4O2 — CID 97055411

IUPAC(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
SMILESN#Cc1ccnc(N2CCNC[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-2-14-10(5-8)15-4-3-13-7-9(15)11(16)17/h1-2,5,9,13H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyPPZAEEWRYFOFQJ-SECBINFHSA-N
MW232.24 g/mol
LogP-0.18
Rot. Bonds2

About (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid

(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid (PubChem CID 97055411) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
PubChem CID97055411
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid
SMILESN#Cc1ccnc(N2CCNC[C@@H]2C(=O)O)c1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-2-14-10(5-8)15-4-3-13-7-9(15)11(16)17/h1-2,5,9,13H,3-4,7H2,(H,16,17)/t9-/m1/s1
InChIKeyPPZAEEWRYFOFQJ-SECBINFHSA-N
XLogP-0.18
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-2-pyridinyl)-4-methylpiperidine-2-carboxylic acid
CID 114422351
1-(2-methoxycarbonylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 66284509
1-(5-cyano-2-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 112755982
1-(5-cyano-3-nitro-2-pyridinyl)piperazine-2-carboxylic acid
CID 103472391
(2S)-1-(4-chloropyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97166480
1-(4-cyano-3-methylphenyl)piperazine-2-carboxylic acid
CID 81279026
1-(4-methylpyrimidin-2-yl)piperazine-2-carboxylic acid;hydrochloride
CID 71639214
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646293
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
1-(4-cyano-6-methyl-2-pyridinyl)-N-methylpiperazine-2-carboxamide
CID 114770105

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid (CID 97055411) is (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid is N#Cc1ccnc(N2CCNC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid?
The InChIKey is PPZAEEWRYFOFQJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-8-1-2-14-10(5-8)15-4-3-13-7-9(15)11(16)17/h1-2,5,9,13H,3-4,7H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid?
(2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-cyano-2-pyridinyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 97055411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).