2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid

C14H19N3O3 — CID 62691390

IUPAC2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C14H19N3O3/c1-11(14(19)20)16-5-7-17(8-6-16)13(18)9-12-3-2-4-15-10-12/h2-4,10-11H,5-9H2,1H3,(H,19,20)
InChIKeyPZYCDRFUGAFGTJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid

2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid (PubChem CID 62691390) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
PubChem CID62691390
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)Cc2cccnc2)CC1
InChIInChI=1S/C14H19N3O3/c1-11(14(19)20)16-5-7-17(8-6-16)13(18)9-12-3-2-4-15-10-12/h2-4,10-11H,5-9H2,1H3,(H,19,20)
InChIKeyPZYCDRFUGAFGTJ-UHFFFAOYSA-N
XLogP0.24
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-1-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 75507878
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
oxalic acid;1-propan-2-yl-4-(pyridin-3-ylmethyl)piperazine
CID 2879902
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 53192620
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]ethanone
CID 127323032
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
2-methyl-3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 114897633
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid (CID 62691390) is 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)Cc2cccnc2)CC1.
What is the InChIKey of 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid?
The InChIKey is PZYCDRFUGAFGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(14(19)20)16-5-7-17(8-6-16)13(18)9-12-3-2-4-15-10-12/h2-4,10-11H,5-9H2,1H3,(H,19,20).
What are the key properties of 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid?
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62691390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).