2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid

C14H19N3O3 — CID 61158983

IUPAC2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)CN1CCNCC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16(12-5-3-2-4-11(12)14(19)20)13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10H2,1H3,(H,19,20)
InChIKeyOZPUSRLWBKEGGK-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.25
Rot. Bonds4

About 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid

2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid (PubChem CID 61158983) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
PubChem CID61158983
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid
SMILESCN(C(=O)CN1CCNCC1)c1ccccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16(12-5-3-2-4-11(12)14(19)20)13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10H2,1H3,(H,19,20)
InChIKeyOZPUSRLWBKEGGK-UHFFFAOYSA-N
XLogP0.25
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]benzoic acid
CID 62839047
2-(1,4-diazepan-1-yl)-N-methyl-N-(2-methylphenyl)acetamide
CID 62833998
2-[methyl-(2-piperidin-4-ylsulfanylacetyl)amino]benzoic acid
CID 114627152
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
N-methyl-N-(3-methylthiophen-2-yl)-2-piperazin-1-ylacetamide
CID 115171691
N-methyl-N-(2-phenoxyethyl)-2-piperazin-1-ylacetamide
CID 60937635
2-[[2-(2-hydroxyphenyl)acetyl]-methylamino]benzoic acid
CID 80743167
N-[2-(1-ethoxyethenyl)phenyl]-N-methyl-2-morpholin-4-ylacetamide
CID 70176279
N-benzyl-N-tert-butyl-2-piperazin-1-ylacetamide
CID 54773454
N-(5-bromothiophen-2-yl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171678
N-methyl-N-(3-phenoxypropyl)-2-piperazin-1-ylacetamide
CID 60944727
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid (CID 61158983) is 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid is CN(C(=O)CN1CCNCC1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid?
The InChIKey is OZPUSRLWBKEGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16(12-5-3-2-4-11(12)14(19)20)13(18)10-17-8-6-15-7-9-17/h2-5,15H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid?
2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-piperazin-1-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 61158983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).