[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C17H22N2O7S — CID 7806906

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O7S/c1-2-25-17(22)18-15(20)12-26-16(21)13-8-4-5-9-14(13)27(23,24)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20,22)
InChIKeyAIHBKWMKUQJSGP-UHFFFAOYSA-N
MW398.44 g/mol
LogP1.29
Rot. Bonds6

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 7806906) has the molecular formula C17H22N2O7S and a molecular weight of 398.44 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID7806906
Molecular FormulaC17H22N2O7S
Molecular Weight398.44 g/mol
Exact Mass398.11
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCCOC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O7S/c1-2-25-17(22)18-15(20)12-26-16(21)13-8-4-5-9-14(13)27(23,24)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20,22)
InChIKeyAIHBKWMKUQJSGP-UHFFFAOYSA-N
XLogP1.29
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 55311314
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806934
[2-(ethoxycarbonylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate
CID 4692168
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 7740541
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 30926889
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540036

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 7806906) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is CCOC(=O)NC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is AIHBKWMKUQJSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7S/c1-2-25-17(22)18-15(20)12-26-16(21)13-8-4-5-9-14(13)27(23,24)19-10-6-3-7-11-19/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,18,20,22).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 398.44 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 7806906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).