ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate

C25H28N2O6 — CID 55400114

IUPACethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C25H28N2O6/c1-3-32-25(31)21-13-6-7-14-27(21)22(28)16-33-24(30)19-11-4-5-12-20(19)26-23(29)18-10-8-9-17(2)15-18/h4-5,8-12,15,21H,3,6-7,13-14,16H2,1-2H3,(H,26,29)
InChIKeyZIASVAHAKAQBHB-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.35
Rot. Bonds7

About ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate

ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate (PubChem CID 55400114) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate
PubChem CID55400114
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Nameethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C25H28N2O6/c1-3-32-25(31)21-13-6-7-14-27(21)22(28)16-33-24(30)19-11-4-5-12-20(19)26-23(29)18-10-8-9-17(2)15-18/h4-5,8-12,15,21H,3,6-7,13-14,16H2,1-2H3,(H,26,29)
InChIKeyZIASVAHAKAQBHB-UHFFFAOYSA-N
XLogP3.35
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
CID 3362158
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 2606152
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537798
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
ethyl 4-[2-[(3-methylbenzoyl)amino]benzoyl]piperazine-1-carboxylate
CID 2984971
[2-(2-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 55400404
ethyl (2R)-1-[2-(3-methyl-4-nitrobenzoyl)oxyacetyl]piperidine-2-carboxylate
CID 9199244
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(4-acetamidophenyl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 42976841
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate (CID 55400114) is ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)COC(=O)c1ccccc1NC(=O)c1cccc(C)c1.
What is the InChIKey of ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate?
The InChIKey is ZIASVAHAKAQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-3-32-25(31)21-13-6-7-14-27(21)22(28)16-33-24(30)19-11-4-5-12-20(19)26-23(29)18-10-8-9-17(2)15-18/h4-5,8-12,15,21H,3,6-7,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate?
ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-[(3-methylbenzoyl)amino]benzoyl]oxyacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 55400114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).