ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate

C18H24N2O7S — CID 7740885

IUPACethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C18H24N2O7S/c1-3-26-17(22)13-8-10-20(11-9-13)16(21)12-27-18(23)14-6-4-5-7-15(14)19-28(2,24)25/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyNXACYNMSSWNJLU-UHFFFAOYSA-N
MW412.46 g/mol
LogP1.02
Rot. Bonds7

About ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate (PubChem CID 7740885) has the molecular formula C18H24N2O7S and a molecular weight of 412.46 g/mol. Its IUPAC name is ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
PubChem CID7740885
Molecular FormulaC18H24N2O7S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Nameethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)CC1
InChIInChI=1S/C18H24N2O7S/c1-3-26-17(22)13-8-10-20(11-9-13)16(21)12-27-18(23)14-6-4-5-7-15(14)19-28(2,24)25/h4-7,13,19H,3,8-12H2,1-2H3
InChIKeyNXACYNMSSWNJLU-UHFFFAOYSA-N
XLogP1.02
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-[2-(propan-2-ylcarbamoylamino)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 46641189
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7247709
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 8015609
ethyl 1-[2-(2-nitrobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 9454739
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-methoxypyridine-3-carboxylate
CID 55555560
ethyl 1-[2-(methanesulfonamido)benzoyl]piperidine-3-carboxylate
CID 51163973
ethyl 1-[2-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55306358
ethyl 1-[2-(2,5-dimethylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 23990490
ethyl 1-[2-(1-hydroxynaphthalene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 7891146
[2-(4-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55441207
ethyl 1-[2-(1,5-dimethylpyrazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55495300
ethyl 1-[2-(5-bromo-2-fluorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 55339040

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate (CID 7740885) is ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)c2ccccc2NS(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate?
The InChIKey is NXACYNMSSWNJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O7S/c1-3-26-17(22)13-8-10-20(11-9-13)16(21)12-27-18(23)14-6-4-5-7-15(14)19-28(2,24)25/h4-7,13,19H,3,8-12H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate has a molecular weight of 412.46 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(methanesulfonamido)benzoyl]oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 7740885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).