[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C19H28N2O5S — CID 42470089

IUPAC[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCC(C)CCNC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O5S/c1-15(2)10-11-20-18(22)14-26-19(23)16-8-4-5-9-17(16)27(24,25)21-12-6-3-7-13-21/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,22)
InChIKeyUWMXEWQVQWUUOP-UHFFFAOYSA-N
MW396.51 g/mol
LogP2.18
Rot. Bonds8

About [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 42470089) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID42470089
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESCC(C)CCNC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H28N2O5S/c1-15(2)10-11-20-18(22)14-26-19(23)16-8-4-5-9-17(16)27(24,25)21-12-6-3-7-13-21/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,22)
InChIKeyUWMXEWQVQWUUOP-UHFFFAOYSA-N
XLogP2.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-(3-methylbutylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 33080715
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-(3-methylbutylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 2629654
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806934
2-(4-methoxyphenyl)ethyl 2-piperidin-1-ylsulfonylbenzoate
CID 42981551
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 30926889
[2-(2-methylpropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 18080442
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 55311314

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 42470089) is [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is CC(C)CCNC(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is UWMXEWQVQWUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-15(2)10-11-20-18(22)14-26-19(23)16-8-4-5-9-17(16)27(24,25)21-12-6-3-7-13-21/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,20,22).
What are the key properties of [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 396.51 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 42470089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).