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

C19H26N2O4 — CID 108514590

IUPACbutyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C19H26N2O4/c1-3-4-13-25-19(24)15-10-5-6-11-16(15)20-17(22)18(23)21-12-8-7-9-14(21)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3,(H,20,22)
InChIKeyKSXYFMBOQLOBCF-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.98
Rot. Bonds5

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

butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate (PubChem CID 108514590) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
PubChem CID108514590
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namebutyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1C
InChIInChI=1S/C19H26N2O4/c1-3-4-13-25-19(24)15-10-5-6-11-16(15)20-17(22)18(23)21-12-8-7-9-14(21)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3,(H,20,22)
InChIKeyKSXYFMBOQLOBCF-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate with MolForge

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Related Compounds

butyl 2-[[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108514709
butyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoacetyl]amino]benzoate
CID 108503933
N-(2-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523411
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375
butyl 2-(cyclopentylmethylcarbamoylamino)benzoate
CID 108902547
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
butyl 2-[[2-[tert-butyl(ethyl)amino]-2-oxoacetyl]amino]benzoate
CID 108514658
dimethyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108523341
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
butyl 2-[[2-oxo-2-(pyrimidin-2-ylamino)acetyl]amino]benzoate
CID 108514572
butyl 2-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108514607
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The IUPAC name of butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate (CID 108514590) is butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate is CCCCOC(=O)c1ccccc1NC(=O)C(=O)N1CCCCC1C.
What is the InChIKey of butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
The InChIKey is KSXYFMBOQLOBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-4-13-25-19(24)15-10-5-6-11-16(15)20-17(22)18(23)21-12-8-7-9-14(21)2/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3,(H,20,22).
What are the key properties of butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate?
butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate has a molecular weight of 346.43 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108514590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).