5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid

C26H32N4O5 — CID 50782647

IUPAC5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H32N4O5/c27-25(34)26(30-13-5-2-6-14-30)11-15-29(16-12-26)19-9-10-22(21(17-19)24(32)33)28-23(31)18-35-20-7-3-1-4-8-20/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,27,34)(H,28,31)(H,32,33)
InChIKeyYFTGTFPHELWQJL-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.71
Rot. Bonds8

About 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid

5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid (PubChem CID 50782647) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
PubChem CID50782647
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C26H32N4O5/c27-25(34)26(30-13-5-2-6-14-30)11-15-29(16-12-26)19-9-10-22(21(17-19)24(32)33)28-23(31)18-35-20-7-3-1-4-8-20/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,27,34)(H,28,31)(H,32,33)
InChIKeyYFTGTFPHELWQJL-UHFFFAOYSA-N
XLogP2.71
TPSA125.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782411
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057985
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-methylbenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146057936
2-[(2-methoxyacetyl)amino]-5-piperidin-1-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146057975
2-[(2-methoxyacetyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50782137
5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 86769136
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
5-iodo-2-[(2-phenoxyacetyl)amino]benzamide
CID 122188000
5-acetamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50807489
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(propanoylamino)benzoic acid
CID 50782232

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid?
The IUPAC name of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid (CID 50782647) is 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid?
The canonical SMILES for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid is NC(=O)C1(N2CCCCC2)CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid?
The InChIKey is YFTGTFPHELWQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c27-25(34)26(30-13-5-2-6-14-30)11-15-29(16-12-26)19-9-10-22(21(17-19)24(32)33)28-23(31)18-35-20-7-3-1-4-8-20/h1,3-4,7-10,17H,2,5-6,11-16,18H2,(H2,27,34)(H,28,31)(H,32,33).
What are the key properties of 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid?
5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid has a molecular weight of 480.57 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 50782647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).