4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid

C13H16N4O2 — CID 67325965

IUPAC4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCN1c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-13(2)9-16(12(18)19)5-6-17(13)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVYVPYQTVWJJCBN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.53
Rot. Bonds1

About 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid

4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid (PubChem CID 67325965) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
PubChem CID67325965
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)CCN1c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-13(2)9-16(12(18)19)5-6-17(13)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19)
InChIKeyVYVPYQTVWJJCBN-UHFFFAOYSA-N
XLogP1.53
TPSA80.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
CID 67324559
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
6-[4-(2-methylmorpholine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171493313
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122047879
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid (CID 67325965) is 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid is CC1(C)CN(C(=O)O)CCN1c1ccc(C#N)cn1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid?
The InChIKey is VYVPYQTVWJJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2)9-16(12(18)19)5-6-17(13)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6,9H2,1-2H3,(H,18,19).
What are the key properties of 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid?
4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid has a molecular weight of 260.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-3,3-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 67325965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).