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

C18H24N2O5S — CID 7555500

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C18H24N2O5S/c21-17(19-15-6-7-15)13-25-18(22)12-14-4-8-16(9-5-14)26(23,24)20-10-2-1-3-11-20/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,21)
InChIKeyDBQOBPQCPOCFPJ-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.23
Rot. Bonds7

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

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (PubChem CID 7555500) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
PubChem CID7555500
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1
InChIInChI=1S/C18H24N2O5S/c21-17(19-15-6-7-15)13-25-18(22)12-14-4-8-16(9-5-14)26(23,24)20-10-2-1-3-11-20/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,21)
InChIKeyDBQOBPQCPOCFPJ-UHFFFAOYSA-N
XLogP1.23
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 7377101
[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
[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307860
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
[2-(cyclopropylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2511239
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
1-cyclopropyl-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 51273906
[2-(1-cyclopropylethylamino)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 55398761
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] cyclohexanecarboxylate
CID 4036102
3-phenoxypropyl 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55569298

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate (CID 7555500) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
The InChIKey is DBQOBPQCPOCFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c21-17(19-15-6-7-15)13-25-18(22)12-14-4-8-16(9-5-14)26(23,24)20-10-2-1-3-11-20/h4-5,8-9,15H,1-3,6-7,10-13H2,(H,19,21).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate has a molecular weight of 380.47 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate is sourced from PubChem (CID 7555500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).