(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate

C57H94N6O10 — CID 54497185

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
SMILESCN1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C(C(=O)N(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)c2ccccc2)CC1(C)C
InChIInChI=1S/C57H94N6O10/c1-50(2)26-39(27-51(3,4)58(50)17)70-43(64)34-62(35-44(65)71-40-28-52(5,6)59(18)53(7,8)29-40)48(68)47(38-24-22-21-23-25-38)49(69)63(36-45(66)72-41-30-54(9,10)60(19)55(11,12)31-41)37-46(67)73-42-32-56(13,14)61(20)57(15,16)33-42/h21-25,39-42,47H,26-37H2,1-20H3
InChIKeyXZXOQYFVNPOKHO-UHFFFAOYSA-N
MW1023.41 g/mol
LogP7.21
Rot. Bonds15

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate

(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate (PubChem CID 54497185) has the molecular formula C57H94N6O10 and a molecular weight of 1023.41 g/mol. Its IUPAC name is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate.

Molecular Properties

Compound Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
PubChem CID54497185
Molecular FormulaC57H94N6O10
Molecular Weight1023.41 g/mol
Exact Mass1022.70
IUPAC Name(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
SMILESCN1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C(C(=O)N(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)c2ccccc2)CC1(C)C
InChIInChI=1S/C57H94N6O10/c1-50(2)26-39(27-51(3,4)58(50)17)70-43(64)34-62(35-44(65)71-40-28-52(5,6)59(18)53(7,8)29-40)48(68)47(38-24-22-21-23-25-38)49(69)63(36-45(66)72-41-30-54(9,10)60(19)55(11,12)31-41)37-46(67)73-42-32-56(13,14)61(20)57(15,16)33-42/h21-25,39-42,47H,26-37H2,1-20H3
InChIKeyXZXOQYFVNPOKHO-UHFFFAOYSA-N
XLogP7.21
TPSA158.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.41
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate?
The IUPAC name of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate (CID 54497185) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate.
What is the SMILES notation for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate?
The canonical SMILES for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate is CN1C(C)(C)CC(OC(=O)CN(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)C(C(=O)N(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)c2ccccc2)CC1(C)C.
What is the InChIKey of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate?
The InChIKey is XZXOQYFVNPOKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H94N6O10/c1-50(2)26-39(27-51(3,4)58(50)17)70-43(64)34-62(35-44(65)71-40-28-52(5,6)59(18)53(7,8)29-40)48(68)47(38-24-22-21-23-25-38)49(69)63(36-45(66)72-41-30-54(9,10)60(19)55(11,12)31-41)37-46(67)73-42-32-56(13,14)61(20)57(15,16)33-42/h21-25,39-42,47H,26-37H2,1-20H3.
What are the key properties of (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate?
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate has a molecular weight of 1023.41 g/mol, XLogP of 7.21, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]-3-oxo-2-phenylpropanoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate is sourced from PubChem (CID 54497185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).