5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

C13H20N4O2 — CID 28972374

IUPAC5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c18-12(19)4-1-2-7-16-8-10-17(11-9-16)13-14-5-3-6-15-13/h3,5-6H,1-2,4,7-11H2,(H,18,19)
InChIKeyNLIOPUFPIZKEGF-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.85
Rot. Bonds6

About 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid

5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (PubChem CID 28972374) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
PubChem CID28972374
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
SMILESO=C(O)CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N4O2/c18-12(19)4-1-2-7-16-8-10-17(11-9-16)13-14-5-3-6-15-13/h3,5-6H,1-2,4,7-11H2,(H,18,19)
InChIKeyNLIOPUFPIZKEGF-UHFFFAOYSA-N
XLogP0.85
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic 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

4-oxo-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid
CID 14423695
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
6-(aziridin-1-yl)hexanoic acid
CID 141385441
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
N,2-dimethyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]propanamide
CID 14622622
5-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]pentanoic acid
CID 99820439
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
tert-butyl 3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoate
CID 115580851
3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-3-azabicyclo[3.2.0]heptane-2,4-dione;hydrochloride
CID 23315265
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]methanesulfonamide
CID 13318066

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The IUPAC name of 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid (CID 28972374) is 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is O=C(O)CCCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
The InChIKey is NLIOPUFPIZKEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c18-12(19)4-1-2-7-16-8-10-17(11-9-16)13-14-5-3-6-15-13/h3,5-6H,1-2,4,7-11H2,(H,18,19).
What are the key properties of 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid?
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid has a molecular weight of 264.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid is sourced from PubChem (CID 28972374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).