[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate

C19H28N2O5S — CID 55307860

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-20(4-2)18(22)15-26-19(23)14-16-8-10-17(11-9-16)27(24,25)21-12-6-5-7-13-21/h8-11H,3-7,12-15H2,1-2H3
InChIKeyYYYSZDUJKXBBLT-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.82
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate

[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (PubChem CID 55307860) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
PubChem CID55307860
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESCCN(CC)C(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-3-20(4-2)18(22)15-26-19(23)14-16-8-10-17(11-9-16)27(24,25)21-12-6-5-7-13-21/h8-11H,3-7,12-15H2,1-2H3
InChIKeyYYYSZDUJKXBBLT-UHFFFAOYSA-N
XLogP1.82
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555500
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55418584
[2-(2-cyanoethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555461
N-ethyl-2-(4-piperidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 55372961
3-phenoxypropyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55569298
2-(4-fluorophenoxy)ethyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 9323178
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 27894234
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
N-ethyl-N-(2-hydroxyethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 78855409
[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23880152
(5-fluoro-2-methoxyphenyl)methyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307859

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (CID 55307860) is [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is CCN(CC)C(=O)COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The InChIKey is YYYSZDUJKXBBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-20(4-2)18(22)15-26-19(23)14-16-8-10-17(11-9-16)27(24,25)21-12-6-5-7-13-21/h8-11H,3-7,12-15H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate has a molecular weight of 396.51 g/mol, XLogP of 1.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is sourced from PubChem (CID 55307860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).