6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid

C11H12N4O2 — CID 70915631

IUPAC6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESN#CC1CCN(c2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-3-15(4-2-8)10-5-9(11(16)17)13-7-14-10/h5,7-8H,1-4H2,(H,16,17)
InChIKeyWHOINNMIHOQDPL-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.91
Rot. Bonds2

About 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid

6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid (PubChem CID 70915631) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
PubChem CID70915631
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
SMILESN#CC1CCN(c2cc(C(=O)O)ncn2)CC1
InChIInChI=1S/C11H12N4O2/c12-6-8-1-3-15(4-2-8)10-5-9(11(16)17)13-7-14-10/h5,7-8H,1-4H2,(H,16,17)
InChIKeyWHOINNMIHOQDPL-UHFFFAOYSA-N
XLogP0.91
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-cyanopiperidin-1-yl)pyrimidine-4-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

1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137333282
pyrimidine-4,6-dicarboxylic acid;dihydrate
CID 139151595
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
N-(4-cyanophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342313
6-[4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 59744061
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
(4R)-8-(6-carboxypyrimidin-4-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97202971
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338836
N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 168959394
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
CID 162376577

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid (CID 70915631) is 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid is N#CC1CCN(c2cc(C(=O)O)ncn2)CC1.
What is the InChIKey of 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid?
The InChIKey is WHOINNMIHOQDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-8-1-3-15(4-2-8)10-5-9(11(16)17)13-7-14-10/h5,7-8H,1-4H2,(H,16,17).
What are the key properties of 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid?
6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 70915631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).