[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

C24H33N3O6S — CID 55325716

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H33N3O6S/c1-3-10-26(11-4-2)23(28)19-33-24(29)21-18-20(34(30,31)27-14-16-32-17-15-27)8-9-22(21)25-12-6-5-7-13-25/h3-4,8-9,18H,1-2,5-7,10-17,19H2
InChIKeyWYVZVGAPJMIXRV-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.06
Rot. Bonds10

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (PubChem CID 55325716) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
PubChem CID55325716
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H33N3O6S/c1-3-10-26(11-4-2)23(28)19-33-24(29)21-18-20(34(30,31)27-14-16-32-17-15-27)8-9-22(21)25-12-6-5-7-13-25/h3-4,8-9,18H,1-2,5-7,10-17,19H2
InChIKeyWYVZVGAPJMIXRV-UHFFFAOYSA-N
XLogP2.06
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42983796
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 4317954
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 41124338
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 55311314
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55331545
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521150
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (CID 55325716) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The InChIKey is WYVZVGAPJMIXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-3-10-26(11-4-2)23(28)19-33-24(29)21-18-20(34(30,31)27-14-16-32-17-15-27)8-9-22(21)25-12-6-5-7-13-25/h3-4,8-9,18H,1-2,5-7,10-17,19H2.
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate has a molecular weight of 491.61 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is sourced from PubChem (CID 55325716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).