2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid

C14H19N3O3 — CID 65350381

IUPAC2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c18-13(10-17-6-4-15-5-7-17)16-12-3-1-2-11(8-12)9-14(19)20/h1-3,8,15H,4-7,9-10H2,(H,16,18)(H,19,20)
InChIKeyOFDLOPRYPZDZSW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.16
Rot. Bonds5

About 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid

2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid (PubChem CID 65350381) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
PubChem CID65350381
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CN2CCNCC2)c1
InChIInChI=1S/C14H19N3O3/c18-13(10-17-6-4-15-5-7-17)16-12-3-1-2-11(8-12)9-14(19)20/h1-3,8,15H,4-7,9-10H2,(H,16,18)(H,19,20)
InChIKeyOFDLOPRYPZDZSW-UHFFFAOYSA-N
XLogP0.16
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-piperazin-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]acetamide
CID 60851422
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid (CID 65350381) is 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)CN2CCNCC2)c1.
What is the InChIKey of 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid?
The InChIKey is OFDLOPRYPZDZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(10-17-6-4-15-5-7-17)16-12-3-1-2-11(8-12)9-14(19)20/h1-3,8,15H,4-7,9-10H2,(H,16,18)(H,19,20).
What are the key properties of 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid?
2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-piperazin-1-ylacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65350381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).