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

C14H19N3O4 — CID 115411987

IUPAC4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H19N3O4/c1-16-5-7-17(8-6-16)14(20)15-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9H,5-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVPMPEQLEEDBARD-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.17
Rot. Bonds3

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

4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid (PubChem CID 115411987) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
PubChem CID115411987
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C14H19N3O4/c1-16-5-7-17(8-6-16)14(20)15-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9H,5-8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyVPMPEQLEEDBARD-UHFFFAOYSA-N
XLogP1.17
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
N-(7-methoxynaphthalen-1-yl)-4-methylpiperazine-1-carboxamide
CID 11011997
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 61193391
2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115412194
4-methoxy-2-[(3-methylthiomorpholine-4-carbonyl)amino]benzoic acid
CID 115412284
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
N-(2-amino-5-methoxyphenyl)piperidine-1-carboxamide
CID 79155990
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid (CID 115411987) is 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
The InChIKey is VPMPEQLEEDBARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16-5-7-17(8-6-16)14(20)15-12-9-10(21-2)3-4-11(12)13(18)19/h3-4,9H,5-8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid?
4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115411987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).