[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

C25H39N3O5S — CID 4620829

IUPAC[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESCC1(C)CC(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(C)(C)N1
InChIInChI=1S/C25H39N3O5S/c1-24(2)16-20(17-25(3,4)27-24)26-22(29)18-33-23(30)13-10-19-8-11-21(12-9-19)34(31,32)28-14-6-5-7-15-28/h8-9,11-12,20,27H,5-7,10,13-18H2,1-4H3,(H,26,29)
InChIKeySNIIPMGBOAMVCB-UHFFFAOYSA-N
MW493.67 g/mol
LogP2.76
Rot. Bonds8

About [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (PubChem CID 4620829) has the molecular formula C25H39N3O5S and a molecular weight of 493.67 g/mol. Its IUPAC name is [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
PubChem CID4620829
Molecular FormulaC25H39N3O5S
Molecular Weight493.67 g/mol
Exact Mass493.26
IUPAC Name[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
SMILESCC1(C)CC(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(C)(C)N1
InChIInChI=1S/C25H39N3O5S/c1-24(2)16-20(17-25(3,4)27-24)26-22(29)18-33-23(30)13-10-19-8-11-21(12-9-19)34(31,32)28-14-6-5-7-15-28/h8-9,11-12,20,27H,5-7,10,13-18H2,1-4H3,(H,26,29)
InChIKeySNIIPMGBOAMVCB-UHFFFAOYSA-N
XLogP2.76
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.67
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The IUPAC name of [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate (CID 4620829) is [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The canonical SMILES for [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is CC1(C)CC(NC(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC(C)(C)N1.
What is the InChIKey of [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
The InChIKey is SNIIPMGBOAMVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O5S/c1-24(2)16-20(17-25(3,4)27-24)26-22(29)18-33-23(30)13-10-19-8-11-21(12-9-19)34(31,32)28-14-6-5-7-15-28/h8-9,11-12,20,27H,5-7,10,13-18H2,1-4H3,(H,26,29).
What are the key properties of [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate?
[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate has a molecular weight of 493.67 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate is sourced from PubChem (CID 4620829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).