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

C13H17N3O4 — CID 43522138

IUPAC3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O4/c17-11-2-1-10(9-14-11)13(20)16-7-5-15(6-8-16)4-3-12(18)19/h1-2,9H,3-8H2,(H,14,17)(H,18,19)
InChIKeyJUWSMSBWHIKSLL-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.39
Rot. Bonds4

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

3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522138) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522138
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C13H17N3O4/c17-11-2-1-10(9-14-11)13(20)16-7-5-15(6-8-16)4-3-12(18)19/h1-2,9H,3-8H2,(H,14,17)(H,18,19)
InChIKeyJUWSMSBWHIKSLL-UHFFFAOYSA-N
XLogP-0.39
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
5-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24707425
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
5-(4-cyclopropylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 47268320
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
3-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]propanoic acid
CID 82322926
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762
3-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]propanoic acid
CID 107702412
3-[4-(4-amino-3-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 61160837

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 43522138) is 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is JUWSMSBWHIKSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11-2-1-10(9-14-11)13(20)16-7-5-15(6-8-16)4-3-12(18)19/h1-2,9H,3-8H2,(H,14,17)(H,18,19).
What are the key properties of 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
3-[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, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).