2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone

C46H80N6O8-4 — CID 102503022

IUPAC2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone
SMILESCC1(C)CC(C(=O)CN(CCN(CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C46H80N6O8/c1-39(2)19-31(20-40(3,4)49(39)57)35(53)27-47(28-36(54)32-21-41(5,6)50(58)42(7,8)22-32)17-18-48(29-37(55)33-23-43(9,10)51(59)44(11,12)24-33)30-38(56)34-25-45(13,14)52(60)46(15,16)26-34/h31-34H,17-30H2,1-16H3/q-4
InChIKeyHZODNZSGJKYZCW-UHFFFAOYSA-N
MW845.18 g/mol
LogP6.93
Rot. Bonds15

About 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone

2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone (PubChem CID 102503022) has the molecular formula C46H80N6O8-4 and a molecular weight of 845.18 g/mol. Its IUPAC name is 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone
PubChem CID102503022
Molecular FormulaC46H80N6O8-4
Molecular Weight845.18 g/mol
Exact Mass844.61
IUPAC Name2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone
SMILESCC1(C)CC(C(=O)CN(CCN(CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-]
InChIInChI=1S/C46H80N6O8/c1-39(2)19-31(20-40(3,4)49(39)57)35(53)27-47(28-36(54)32-21-41(5,6)50(58)42(7,8)22-32)17-18-48(29-37(55)33-23-43(9,10)51(59)44(11,12)24-33)30-38(56)34-25-45(13,14)52(60)46(15,16)26-34/h31-34H,17-30H2,1-16H3/q-4
InChIKeyHZODNZSGJKYZCW-UHFFFAOYSA-N
XLogP6.93
TPSA179.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.18
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone?
The IUPAC name of 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone (CID 102503022) is 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone.
What is the SMILES notation for 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone?
The canonical SMILES for 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone is CC1(C)CC(C(=O)CN(CCN(CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(=O)C2CC(C)(C)N([O-])C(C)(C)C2)CC(C)(C)N1[O-].
What is the InChIKey of 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone?
The InChIKey is HZODNZSGJKYZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H80N6O8/c1-39(2)19-31(20-40(3,4)49(39)57)35(53)27-47(28-36(54)32-21-41(5,6)50(58)42(7,8)22-32)17-18-48(29-37(55)33-23-43(9,10)51(59)44(11,12)24-33)30-38(56)34-25-45(13,14)52(60)46(15,16)26-34/h31-34H,17-30H2,1-16H3/q-4.
What are the key properties of 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone?
2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone has a molecular weight of 845.18 g/mol, XLogP of 6.93, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]ethyl-[2-oxo-2-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethyl]amino]-1-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)ethanone is sourced from PubChem (CID 102503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).