(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate

C52H93N7O10 — CID 88659191

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate
SMILESCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)N(C(=O)CNCC(=O)N(C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H93N7O10/c1-31(41(62)66-35-21-45(5,6)54-46(7,8)22-35)58(32(2)42(63)67-36-23-47(9,10)55-48(11,12)24-36)39(60)29-53-30-40(61)59(33(3)43(64)68-37-25-49(13,14)56-50(15,16)26-37)34(4)44(65)69-38-27-51(17,18)57-52(19,20)28-38/h31-38,53-57H,21-30H2,1-20H3
InChIKeyUNMIAGNCPFJIKD-UHFFFAOYSA-N
MW976.35 g/mol
LogP5.20
Rot. Bonds16

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate (PubChem CID 88659191) has the molecular formula C52H93N7O10 and a molecular weight of 976.35 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate
PubChem CID88659191
Molecular FormulaC52H93N7O10
Molecular Weight976.35 g/mol
Exact Mass975.70
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate
SMILESCC(C(=O)OC1CC(C)(C)NC(C)(C)C1)N(C(=O)CNCC(=O)N(C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C52H93N7O10/c1-31(41(62)66-35-21-45(5,6)54-46(7,8)22-35)58(32(2)42(63)67-36-23-47(9,10)55-48(11,12)24-36)39(60)29-53-30-40(61)59(33(3)43(64)68-37-25-49(13,14)56-50(15,16)26-37)34(4)44(65)69-38-27-51(17,18)57-52(19,20)28-38/h31-38,53-57H,21-30H2,1-20H3
InChIKeyUNMIAGNCPFJIKD-UHFFFAOYSA-N
XLogP5.20
TPSA205.97 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500976.35
LogP ≤ 55.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate (CID 88659191) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate is CC(C(=O)OC1CC(C)(C)NC(C)(C)C1)N(C(=O)CNCC(=O)N(C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate?
The InChIKey is UNMIAGNCPFJIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H93N7O10/c1-31(41(62)66-35-21-45(5,6)54-46(7,8)22-35)58(32(2)42(63)67-36-23-47(9,10)55-48(11,12)24-36)39(60)29-53-30-40(61)59(33(3)43(64)68-37-25-49(13,14)56-50(15,16)26-37)34(4)44(65)69-38-27-51(17,18)57-52(19,20)28-38/h31-38,53-57H,21-30H2,1-20H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate has a molecular weight of 976.35 g/mol, XLogP of 5.20, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2-[[2-[[2-[bis[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]-2-oxoethyl]amino]acetyl]-[1-oxo-1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-2-yl]amino]propanoate is sourced from PubChem (CID 88659191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).