2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid

C14H19N3O3 — CID 61186798

IUPAC2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
SMILESCN1CCN(C(=O)N(C)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-15-7-9-17(10-8-15)14(20)16(2)12-6-4-3-5-11(12)13(18)19/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyLJIZAODFYKKYCV-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.19
Rot. Bonds2

About 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid

2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid (PubChem CID 61186798) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
PubChem CID61186798
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid
SMILESCN1CCN(C(=O)N(C)c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O3/c1-15-7-9-17(10-8-15)14(20)16(2)12-6-4-3-5-11(12)13(18)19/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyLJIZAODFYKKYCV-UHFFFAOYSA-N
XLogP1.19
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylpiperazine-1-carbonyl)-methylamino]benzoic acid
CID 61190596
2-[(4,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62932565
2-[methyl-(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64693902
2-[methyl(1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62968689
2-[3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl(methyl)amino]benzoic acid
CID 115560837
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[methyl-[(1-methylpiperidin-4-yl)carbamoyl]amino]benzoic acid
CID 61198603
methyl 2-[azepane-1-carbonyl(methyl)amino]benzoate
CID 79157661
2-[methyl(2-methylpropanoyl)amino]benzoic acid
CID 16770720
2-[(2,4-dimethylpiperidine-1-carbonyl)-methylamino]benzoic acid
CID 62331277
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid (CID 61186798) is 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid is CN1CCN(C(=O)N(C)c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The InChIKey is LJIZAODFYKKYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-7-9-17(10-8-15)14(20)16(2)12-6-4-3-5-11(12)13(18)19/h3-6H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylpiperazine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61186798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).