2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid

C22H25N3O4 — CID 25220079

IUPAC2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN(CC(=O)O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-17(26)18-7-9-20(10-8-18)23-11-13-24(14-12-23)21(27)15-25(16-22(28)29)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,28,29)
InChIKeyOIQUYRHRRAEHAO-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.13
Rot. Bonds7

About 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid

2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid (PubChem CID 25220079) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
PubChem CID25220079
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
SMILESCC(=O)c1ccc(N2CCN(C(=O)CN(CC(=O)O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-17(26)18-7-9-20(10-8-18)23-11-13-24(14-12-23)21(27)15-25(16-22(28)29)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,28,29)
InChIKeyOIQUYRHRRAEHAO-UHFFFAOYSA-N
XLogP2.13
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220045
2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-bromoethanone
CID 63681378
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1,3-benzothiazol-2-yl(methyl)amino]ethanone
CID 90605471
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-1-yl]ethanone
CID 25336879
1-(4-acetylpiperazin-1-yl)-2-(N-benzylanilino)ethanone
CID 108996199
methyl 3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropanoate
CID 134069467
1-[4-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 74813973
1-[4-(4-acetylphenyl)piperazin-1-yl]-4-aminobutan-1-one
CID 61252118
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid (CID 25220079) is 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid is CC(=O)c1ccc(N2CCN(C(=O)CN(CC(=O)O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid?
The InChIKey is OIQUYRHRRAEHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-17(26)18-7-9-20(10-8-18)23-11-13-24(14-12-23)21(27)15-25(16-22(28)29)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,28,29).
What are the key properties of 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid?
2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid has a molecular weight of 395.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 25220079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).