2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid

C13H15N3O5 — CID 105063202

IUPAC2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1cnccc1C(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C13H15N3O5/c1-21-10-7-14-3-2-8(10)13(20)16-5-4-15-12(19)9(16)6-11(17)18/h2-3,7,9H,4-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyWTGMCTQFAXMNQF-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.49
Rot. Bonds4

About 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid

2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid (PubChem CID 105063202) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
PubChem CID105063202
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid
SMILESCOc1cnccc1C(=O)N1CCNC(=O)C1CC(=O)O
InChIInChI=1S/C13H15N3O5/c1-21-10-7-14-3-2-8(10)13(20)16-5-4-15-12(19)9(16)6-11(17)18/h2-3,7,9H,4-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyWTGMCTQFAXMNQF-UHFFFAOYSA-N
XLogP-0.49
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
2-[1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 115596375
2-[1-(2-hydroxy-5-methylbenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034046
2-[1-(2-methylsulfanylpyridine-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034402
4-(3-methoxypyridine-4-carbonyl)piperazin-2-one
CID 105063980
N-ethyl-1-(3-methoxypyridine-4-carbonyl)piperazine-2-carboxamide
CID 105064126
butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17096892
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 102787927
2-[1-(2,5-dibromothiophene-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 103790399
2-phenylethyl 2-[1-(2,4-dimethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 54790619
2-[1-(furan-3-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 62034409
2-[1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62033494

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid (CID 105063202) is 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid is COc1cnccc1C(=O)N1CCNC(=O)C1CC(=O)O.
What is the InChIKey of 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is WTGMCTQFAXMNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-21-10-7-14-3-2-8(10)13(20)16-5-4-15-12(19)9(16)6-11(17)18/h2-3,7,9H,4-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid?
2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 293.28 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxypyridine-4-carbonyl)-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 105063202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).