ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate

C17H24N2O3 — CID 8583347

IUPACethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-9-4-5-10-15(14)18-16(20)12-19-11-7-6-8-13(19)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyTXHACTXJXKEETI-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.68
Rot. Bonds5

About ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate

ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate (PubChem CID 8583347) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
PubChem CID8583347
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1CCCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-3-22-17(21)14-9-4-5-10-15(14)18-16(20)12-19-11-7-6-8-13(19)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,18,20)/t13-/m0/s1
InChIKeyTXHACTXJXKEETI-ZDUSSCGKSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 7332900
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206
2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
ethyl 2-[[2-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999990
ethyl 2-[[2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetyl]amino]benzoate
CID 8999987
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
ethyl 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetyl]amino]benzoate
CID 9445248
ethyl 2-[[2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800605
ethyl 2-[3-(4-methylpiperidin-1-yl)propanoylamino]benzoate
CID 109014620
ethyl 2-(propanoylamino)benzoate
CID 4190428
N-(2,6-dimethylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 6994156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate (CID 8583347) is ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1CCCC[C@@H]1C.
What is the InChIKey of ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate?
The InChIKey is TXHACTXJXKEETI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-22-17(21)14-9-4-5-10-15(14)18-16(20)12-19-11-7-6-8-13(19)2/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,18,20)/t13-/m0/s1.
What are the key properties of ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate?
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate has a molecular weight of 304.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 8583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).