2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid

C13H18N4O2 — CID 80997460

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(19)10-2-3-11(10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10-11H,2-3,6-9H2,(H,18,19)
InChIKeyCCILXACPZQUGBM-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.46
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid

2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 80997460) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
PubChem CID80997460
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N4O2/c18-12(19)10-2-3-11(10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10-11H,2-3,6-9H2,(H,18,19)
InChIKeyCCILXACPZQUGBM-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-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

(3S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-3-ol;bis(2,2,2-trifluoroacetic acid)
CID 87937395
2-(4-benzylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80996804
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 94784704
(3aS,7aR)-4-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 133137064
1,2,3,5,6,7,8,8a-octahydroindolizine-8-carboxylic acid
CID 75987984
2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
trans-(1S,2S)-2-pyrimidin-2-ylcyclobutane-1-carboxylic acid
CID 137356594
1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
CID 62716926
(2S,3R,4S)-3-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2-carbaldehyde
CID 87785998
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid (CID 80997460) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid is O=C(O)C1CCC1N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is CCILXACPZQUGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12(19)10-2-3-11(10)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10-11H,2-3,6-9H2,(H,18,19).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid?
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 80997460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).