5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid

C25H31N3O4 — CID 50782152

IUPAC5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C4CCCCC4)CC3)cc2C(=O)O)cc1
InChIInChI=1S/C25H31N3O4/c1-32-21-10-7-18(8-11-21)24(29)26-23-12-9-20(17-22(23)25(30)31)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16H2,1H3,(H,26,29)(H,30,31)
InChIKeyCIEZNQRPIHSCEO-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.10
Rot. Bonds6

About 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid

5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid (PubChem CID 50782152) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
PubChem CID50782152
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(C4CCCCC4)CC3)cc2C(=O)O)cc1
InChIInChI=1S/C25H31N3O4/c1-32-21-10-7-18(8-11-21)24(29)26-23-12-9-20(17-22(23)25(30)31)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16H2,1H3,(H,26,29)(H,30,31)
InChIKeyCIEZNQRPIHSCEO-UHFFFAOYSA-N
XLogP4.10
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid with MolForge

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Related Compounds

4-methoxy-N-[2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]benzamide
CID 163663259
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782215
5-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782597
2-[(4-methoxybenzoyl)amino]-5-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146058003
2-[(3-chlorobenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782249
2-[(2-methoxybenzoyl)amino]-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782341
2-(2,2-dimethylpropanoylamino)-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid
CID 50782170
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
CID 62369937
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
N-(2-chloro-5-pyrrolidin-1-ylphenyl)-4-methoxybenzamide
CID 110361913
5-(4-piperidin-1-ylpiperidin-1-yl)-2-(propanoylamino)benzoic acid
CID 50782827

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid (CID 50782152) is 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid is COc1ccc(C(=O)Nc2ccc(N3CCN(C4CCCCC4)CC3)cc2C(=O)O)cc1.
What is the InChIKey of 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
The InChIKey is CIEZNQRPIHSCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-32-21-10-7-18(8-11-21)24(29)26-23-12-9-20(17-22(23)25(30)31)28-15-13-27(14-16-28)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16H2,1H3,(H,26,29)(H,30,31).
What are the key properties of 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid?
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid has a molecular weight of 437.54 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 50782152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).