2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid

C19H22N4O3 — CID 25220077

IUPAC2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c24-18(14-23(15-19(25)26)16-6-2-1-3-7-16)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h1-9H,10-15H2,(H,25,26)
InChIKeyHPKDEKSRVJINQP-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.32
Rot. Bonds6

About 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid

2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid (PubChem CID 25220077) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
PubChem CID25220077
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
SMILESO=C(O)CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C19H22N4O3/c24-18(14-23(15-19(25)26)16-6-2-1-3-7-16)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h1-9H,10-15H2,(H,25,26)
InChIKeyHPKDEKSRVJINQP-UHFFFAOYSA-N
XLogP1.32
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
CID 44760715
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 141220319
N-benzyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113161227
2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220079
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-(N-ethylanilino)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56537209
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid (CID 25220077) is 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid is O=C(O)CN(CC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid?
The InChIKey is HPKDEKSRVJINQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(14-23(15-19(25)26)16-6-2-1-3-7-16)22-12-10-21(11-13-22)17-8-4-5-9-20-17/h1-9H,10-15H2,(H,25,26).
What are the key properties of 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid?
2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid has a molecular weight of 354.41 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid is sourced from PubChem (CID 25220077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).