[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

C20H26N2O5S — CID 55311314

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O5S/c1-3-12-21(13-4-2)19(23)16-27-20(24)17-10-6-7-11-18(17)28(25,26)22-14-8-5-9-15-22/h3-4,6-7,10-11H,1-2,5,8-9,12-16H2
InChIKeyRKSWUYVKZBKVQA-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.22
Rot. Bonds9

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (PubChem CID 55311314) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
PubChem CID55311314
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H26N2O5S/c1-3-12-21(13-4-2)19(23)16-27-20(24)17-10-6-7-11-18(17)28(25,26)22-14-8-5-9-15-22/h3-4,6-7,10-11H,1-2,5,8-9,12-16H2
InChIKeyRKSWUYVKZBKVQA-UHFFFAOYSA-N
XLogP2.22
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55325716
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806906
[2-(4-fluorophenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806934
[2-(cyclopropylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806939
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 2609049
[2-(3-methylbutylamino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 42470089
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-(3-methylanilino)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806936
2-(4-methoxyphenyl)ethyl 2-piperidin-1-ylsulfonylbenzoate
CID 42981551
[2-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 30926889
(4-nitrophenyl)methyl 2-piperidin-1-ylsulfonylbenzoate
CID 7806929
1-(2-ethoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 122068242

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate (CID 55311314) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is C=CCN(CC=C)C(=O)COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
The InChIKey is RKSWUYVKZBKVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-3-12-21(13-4-2)19(23)16-27-20(24)17-10-6-7-11-18(17)28(25,26)22-14-8-5-9-15-22/h3-4,6-7,10-11H,1-2,5,8-9,12-16H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate has a molecular weight of 406.50 g/mol, XLogP of 2.22, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55311314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).