2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid

C14H19N3O4 — CID 62317950

IUPAC2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCOc1ncccc1C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)20)16-6-8-17(9-7-16)13(18)11-4-3-5-15-12(11)21-2/h3-5,10H,6-9H2,1-2H3,(H,19,20)
InChIKeyXHZUWTFLCSTJSZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.32
Rot. Bonds4

About 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317950) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317950
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESCOc1ncccc1C(=O)N1CCN(C(C)C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-10(14(19)20)16-6-8-17(9-7-16)13(18)11-4-3-5-15-12(11)21-2/h3-5,10H,6-9H2,1-2H3,(H,19,20)
InChIKeyXHZUWTFLCSTJSZ-UHFFFAOYSA-N
XLogP0.32
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95325642
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 91792821
N-cyclopropyl-2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 51299542

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid (CID 62317950) is 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid is COc1ncccc1C(=O)N1CCN(C(C)C(=O)O)CC1.
What is the InChIKey of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is XHZUWTFLCSTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(14(19)20)16-6-8-17(9-7-16)13(18)11-4-3-5-15-12(11)21-2/h3-5,10H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).