[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

C24H36N2O5S — CID 55311954

IUPAC[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H36N2O5S/c1-7-25(16-18(2)3)22(27)17-31-23(28)19-12-14-26(15-13-19)32(29,30)21-10-8-20(9-11-21)24(4,5)6/h8-11,19H,2,7,12-17H2,1,3-6H3
InChIKeyPIKWGRMFMWIMNC-UHFFFAOYSA-N
MW464.63 g/mol
LogP3.35
Rot. Bonds8

About [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 55311954) has the molecular formula C24H36N2O5S and a molecular weight of 464.63 g/mol. Its IUPAC name is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID55311954
Molecular FormulaC24H36N2O5S
Molecular Weight464.63 g/mol
Exact Mass464.23
IUPAC Name[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
SMILESC=C(C)CN(CC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C24H36N2O5S/c1-7-25(16-18(2)3)22(27)17-31-23(28)19-12-14-26(15-13-19)32(29,30)21-10-8-20(9-11-21)24(4,5)6/h8-11,19H,2,7,12-17H2,1,3-6H3
InChIKeyPIKWGRMFMWIMNC-UHFFFAOYSA-N
XLogP3.35
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 53.35
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(2-methoxyethyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 47003887
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460150
(2-oxo-2-propan-2-yloxyethyl) 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 46658315
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55508382
ethyl 1-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 1167102
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-tert-butylbenzoate
CID 55318805
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(furan-2-carbonyl)piperidine-4-carboxylate
CID 55475565
[2-(diethylamino)-2-oxoethyl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 55307860
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-ethylsulfonylpiperidine-4-carboxylate
CID 55404012
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 78803580
(5-methoxycarbonylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate
CID 31226393
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55315959

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate (CID 55311954) is [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is C=C(C)CN(CC)C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is PIKWGRMFMWIMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5S/c1-7-25(16-18(2)3)22(27)17-31-23(28)19-12-14-26(15-13-19)32(29,30)21-10-8-20(9-11-21)24(4,5)6/h8-11,19H,2,7,12-17H2,1,3-6H3.
What are the key properties of [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate?
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 464.63 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 55311954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).