1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

C11H11FN4O2 — CID 142475916

IUPAC1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESN#Cc1ccnc(N2CCC(F)(C(=O)O)CC2)n1
InChIInChI=1S/C11H11FN4O2/c12-11(9(17)18)2-5-16(6-3-11)10-14-4-1-8(7-13)15-10/h1,4H,2-3,5-6H2,(H,17,18)
InChIKeyGXZXHSHAXHWFGR-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.74
Rot. Bonds2

About 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid

1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (PubChem CID 142475916) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
PubChem CID142475916
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid
SMILESN#Cc1ccnc(N2CCC(F)(C(=O)O)CC2)n1
InChIInChI=1S/C11H11FN4O2/c12-11(9(17)18)2-5-16(6-3-11)10-14-4-1-8(7-13)15-10/h1,4H,2-3,5-6H2,(H,17,18)
InChIKeyGXZXHSHAXHWFGR-UHFFFAOYSA-N
XLogP0.74
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-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-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992
2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107543268
2-(3,3-diethylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107544838
2-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 171999793
2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163356398
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
CID 107543044
2-(3,3,4-trimethylpiperazin-1-yl)pyrimidine-4-carbonitrile
CID 107544517
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 171326751
1-[1-(4-cyanopyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166605206
2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine-4-carbonitrile
CID 155973955
4-methyl-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 63124110
1-(4-ethynylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002296

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid (CID 142475916) is 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is N#Cc1ccnc(N2CCC(F)(C(=O)O)CC2)n1.
What is the InChIKey of 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
The InChIKey is GXZXHSHAXHWFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c12-11(9(17)18)2-5-16(6-3-11)10-14-4-1-8(7-13)15-10/h1,4H,2-3,5-6H2,(H,17,18).
What are the key properties of 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid?
1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid has a molecular weight of 250.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyrimidin-2-yl)-4-fluoropiperidine-4-carboxylic acid is sourced from PubChem (CID 142475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).