3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid

C14H20N4O3 — CID 107586068

IUPAC3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCN(CCC(=O)O)CC2)c1
InChIInChI=1S/C14H20N4O3/c1-11-8-12(10-15-9-11)16-14(21)18-6-4-17(5-7-18)3-2-13(19)20/h8-10H,2-7H2,1H3,(H,16,21)(H,19,20)
InChIKeyCAKRMCXLGHGCLX-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.01
Rot. Bonds4

About 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid

3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid (PubChem CID 107586068) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
PubChem CID107586068
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid
SMILESCc1cncc(NC(=O)N2CCN(CCC(=O)O)CC2)c1
InChIInChI=1S/C14H20N4O3/c1-11-8-12(10-15-9-11)16-14(21)18-6-4-17(5-7-18)3-2-13(19)20/h8-10H,2-7H2,1H3,(H,16,21)(H,19,20)
InChIKeyCAKRMCXLGHGCLX-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]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

3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 107586080
4-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]butanoic acid
CID 119958643
2-[4-[(3,5-dimethylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 61189511
3-[1-[(5-methyl-3-pyridinyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 107585962
3-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61205805
3-[4-(methylcarbamoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 138985460
2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107584595
2-[4-[(5-methyl-3-pyridinyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 107586090
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid (CID 107586068) is 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid is Cc1cncc(NC(=O)N2CCN(CCC(=O)O)CC2)c1.
What is the InChIKey of 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid?
The InChIKey is CAKRMCXLGHGCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11-8-12(10-15-9-11)16-14(21)18-6-4-17(5-7-18)3-2-13(19)20/h8-10H,2-7H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid?
3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-3-pyridinyl)carbamoyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 107586068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).