(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

C12H14N4O2 — CID 175401707

IUPAC(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)O
InChIInChI=1S/C12H14N4O2/c1-9-8-15(4-5-16(9)12(17)18)11-3-2-10(6-13)7-14-11/h2-3,7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyYFKNYCMSXQYISG-SECBINFHSA-N
MW246.27 g/mol
LogP1.14
Rot. Bonds1

About (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid

(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (PubChem CID 175401707) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
PubChem CID175401707
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
SMILESC[C@@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)O
InChIInChI=1S/C12H14N4O2/c1-9-8-15(4-5-16(9)12(17)18)11-3-2-10(6-13)7-14-11/h2-3,7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeyYFKNYCMSXQYISG-SECBINFHSA-N
XLogP1.14
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-[4-(5-acetylthiophen-2-yl)butanoyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71009945
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
5-[4-(5-cyano-2-pyridinyl)-2-methylpiperazin-1-yl]-N'-hydroxy-5-oxopentanimidamide;6-[4-(4-isocyanobutanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 172942383
6-[4-[2,2-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]butanoyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 53327860
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
(2R)-4-[5-cyano-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-2-methylpiperazine-1-carboxylic acid
CID 151298400
6-[2-(1-aminoethyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 115315787
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The IUPAC name of (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid (CID 175401707) is (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is C[C@@H]1CN(c2ccc(C#N)cn2)CCN1C(=O)O.
What is the InChIKey of (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
The InChIKey is YFKNYCMSXQYISG-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9-8-15(4-5-16(9)12(17)18)11-3-2-10(6-13)7-14-11/h2-3,7,9H,4-5,8H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid?
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175401707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).