1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid

C11H12N4O2 — CID 137333282

IUPAC1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESN#Cc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C11H12N4O2/c12-6-9-5-10(14-7-13-9)15-3-1-8(2-4-15)11(16)17/h5,7-8H,1-4H2,(H,16,17)
InChIKeyURSOKDYGWLWXTH-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid

1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid (PubChem CID 137333282) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
PubChem CID137333282
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid
SMILESN#Cc1cc(N2CCC(C(=O)O)CC2)ncn1
InChIInChI=1S/C11H12N4O2/c12-6-9-5-10(14-7-13-9)15-3-1-8(2-4-15)11(16)17/h5,7-8H,1-4H2,(H,16,17)
InChIKeyURSOKDYGWLWXTH-UHFFFAOYSA-N
XLogP0.65
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 ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-cyanopyrimidin-4-yl)azetidine-3-carboxylic acid
CID 127019238
tert-butyl 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylate
CID 162376246
6-[4-(3,4-dihydropyrazole-2-carbonyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 168959394
1-[6-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 169227295
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533
1-[6-(difluoromethyl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 126849074
6-piperazin-1-ylpyrimidine-4-carbonitrile
CID 126980969
6-(4-cyanopiperidin-1-yl)pyrimidine-4-carboxylic acid
CID 70915631
6-[4-[(3S)-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 146251413
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192683
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
1-[6-(3-acetylanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113192798

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid (CID 137333282) is 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid is N#Cc1cc(N2CCC(C(=O)O)CC2)ncn1.
What is the InChIKey of 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid?
The InChIKey is URSOKDYGWLWXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-9-5-10(14-7-13-9)15-3-1-8(2-4-15)11(16)17/h5,7-8H,1-4H2,(H,16,17).
What are the key properties of 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid?
1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyanopyrimidin-4-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 137333282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).