2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid

C14H20N4O3 — CID 62310705

IUPAC2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C14H20N4O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-10-12-2-4-15-5-3-12/h2-5,11H,6-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyGYGXJOAQUBWVCI-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.38
Rot. Bonds4

About 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid

2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid (PubChem CID 62310705) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
PubChem CID62310705
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)NCc2ccncc2)CC1
InChIInChI=1S/C14H20N4O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-10-12-2-4-15-5-3-12/h2-5,11H,6-10H2,1H3,(H,16,21)(H,19,20)
InChIKeyGYGXJOAQUBWVCI-UHFFFAOYSA-N
XLogP0.38
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic 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-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-benzhydryl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 86912557
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
2-[4-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62311321
2-[4-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 62309915
4-cyclohexyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113104600
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 95570484
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid (CID 62310705) is 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)NCc2ccncc2)CC1.
What is the InChIKey of 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
The InChIKey is GYGXJOAQUBWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11(13(19)20)17-6-8-18(9-7-17)14(21)16-10-12-2-4-15-5-3-12/h2-5,11H,6-10H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid?
2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).