butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate

C20H28N2O5 — CID 108514709

IUPACbutyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C20H28N2O5/c1-2-3-14-27-20(26)16-9-4-5-10-17(16)21-18(24)19(25)22-12-7-6-8-15(22)11-13-23/h4-5,9-10,15,23H,2-3,6-8,11-14H2,1H3,(H,21,24)
InChIKeyZVMDJXYYOFZADL-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.35
Rot. Bonds7

About butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate

butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate (PubChem CID 108514709) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
PubChem CID108514709
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Namebutyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1CCO
InChIInChI=1S/C20H28N2O5/c1-2-3-14-27-20(26)16-9-4-5-10-17(16)21-18(24)19(25)22-12-7-6-8-15(22)11-13-23/h4-5,9-10,15,23H,2-3,6-8,11-14H2,1H3,(H,21,24)
InChIKeyZVMDJXYYOFZADL-UHFFFAOYSA-N
XLogP2.35
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108514590
butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate
CID 108503933
butyl 2-[[2-[tert-butyl(ethyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514658
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
CID 108529491
N-(2,5-dimethylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108531033
N-(5-chloro-2-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108511874
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)-2-oxoacetamide
CID 47336165
N-(2-ethyl-6-methylphenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108512179
N-(2,6-difluorophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetamide
CID 108522156
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 108515753

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate?
The IUPAC name of butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate (CID 108514709) is butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate?
The canonical SMILES for butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1CCO.
What is the InChIKey of butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate?
The InChIKey is ZVMDJXYYOFZADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-2-3-14-27-20(26)16-9-4-5-10-17(16)21-18(24)19(25)22-12-7-6-8-15(22)11-13-23/h4-5,9-10,15,23H,2-3,6-8,11-14H2,1H3,(H,21,24).
What are the key properties of butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate?
butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate has a molecular weight of 376.45 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108514709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).