2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid

C13H17N3O4 — CID 62317762

IUPAC2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O4/c1-9(13(19)20)15-4-6-16(7-5-15)12(18)10-2-3-11(17)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyLDOASIOFMWQFHB-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.39
Rot. Bonds3

About 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317762) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317762
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O4/c1-9(13(19)20)15-4-6-16(7-5-15)12(18)10-2-3-11(17)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,14,17)(H,19,20)
InChIKeyLDOASIOFMWQFHB-UHFFFAOYSA-N
XLogP-0.39
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(6-oxo-1H-pyridine-3-carbonyl)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

2-[1-(6-oxo-1H-pyridine-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681235
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-[4-[2-(2-methylpropylsulfanyl)acetyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 84583610
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771
3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522138
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 107971361
5-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 110610852
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 62317762) is 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is LDOASIOFMWQFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-9(13(19)20)15-4-6-16(7-5-15)12(18)10-2-3-11(17)14-8-10/h2-3,8-9H,4-7H2,1H3,(H,14,17)(H,19,20).
What are the key properties of 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 279.30 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).