5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid

C26H32N4O5 — CID 50782411

IUPAC5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1C(=O)O
InChIInChI=1S/C26H32N4O5/c31-24(19-35-21-7-3-1-4-8-21)27-23-10-9-20(17-22(23)26(33)34)29-15-13-28(14-16-29)18-25(32)30-11-5-2-6-12-30/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2,(H,27,31)(H,33,34)
InChIKeyNMTYEHMHHUQKQO-UHFFFAOYSA-N
MW480.57 g/mol
LogP2.54
Rot. Bonds8

About 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid

5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid (PubChem CID 50782411) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
PubChem CID50782411
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Name5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
SMILESO=C(COc1ccccc1)Nc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1C(=O)O
InChIInChI=1S/C26H32N4O5/c31-24(19-35-21-7-3-1-4-8-21)27-23-10-9-20(17-22(23)26(33)34)29-15-13-28(14-16-29)18-25(32)30-11-5-2-6-12-30/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2,(H,27,31)(H,33,34)
InChIKeyNMTYEHMHHUQKQO-UHFFFAOYSA-N
XLogP2.54
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid with MolForge

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Related Compounds

5-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782647
5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-[(4-methylbenzoyl)amino]benzoic acid
CID 50781901
2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
CID 50782508
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
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
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 18277431
2-acetamido-5-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50782397
N-[3-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethoxy]phenyl]benzamide
CID 78883848
2-[4-(phenoxymethyl)-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 155990479
5-[4-(2-chlorophenyl)piperazin-1-yl]-2-(propanoylamino)benzoic acid
CID 50782232

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid?
The IUPAC name of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid (CID 50782411) is 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid?
The canonical SMILES for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid is O=C(COc1ccccc1)Nc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1C(=O)O.
What is the InChIKey of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid?
The InChIKey is NMTYEHMHHUQKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c31-24(19-35-21-7-3-1-4-8-21)27-23-10-9-20(17-22(23)26(33)34)29-15-13-28(14-16-29)18-25(32)30-11-5-2-6-12-30/h1,3-4,7-10,17H,2,5-6,11-16,18-19H2,(H,27,31)(H,33,34).
What are the key properties of 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid?
5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid has a molecular weight of 480.57 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 50782411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).