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

C56H92N6O10 — CID 54392170

IUPAC(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]carbamoyl]benzoyl]-[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)c2cccc(C(=O)N(CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C56H92N6O10/c1-49(2)25-39(26-50(3,4)57(49)17)69-43(63)33-61(34-44(64)70-40-27-51(5,6)58(18)52(7,8)28-40)47(67)37-22-21-23-38(24-37)48(68)62(35-45(65)71-41-29-53(9,10)59(19)54(11,12)30-41)36-46(66)72-42-31-55(13,14)60(20)56(15,16)32-42/h21-24,39-42H,25-36H2,1-20H3
InChIKeyVHKGLXVTQFLSOA-UHFFFAOYSA-N
MW1009.38 g/mol
LogP7.35
Rot. Bonds14

About (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate (PubChem CID 54392170) has the molecular formula C56H92N6O10 and a molecular weight of 1009.38 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]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate
PubChem CID54392170
Molecular FormulaC56H92N6O10
Molecular Weight1009.38 g/mol
Exact Mass1008.69
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]carbamoyl]benzoyl]-[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)c2cccc(C(=O)N(CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)c2)CC1(C)C
InChIInChI=1S/C56H92N6O10/c1-49(2)25-39(26-50(3,4)57(49)17)69-43(63)33-61(34-44(64)70-40-27-51(5,6)58(18)52(7,8)28-40)47(67)37-22-21-23-38(24-37)48(68)62(35-45(65)71-41-29-53(9,10)59(19)54(11,12)30-41)36-46(66)72-42-31-55(13,14)60(20)56(15,16)32-42/h21-24,39-42H,25-36H2,1-20H3
InChIKeyVHKGLXVTQFLSOA-UHFFFAOYSA-N
XLogP7.35
TPSA158.78 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.38
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate with MolForge

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Related Compounds

(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
1-O,3-O-bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) benzene-1,3,5-tricarboxylate
CID 122697085
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 4-benzylideneheptanedioate
CID 59107242
methyl 2-[(3-methoxybenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952792
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
[2,4,5-tris[[(Z)-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybut-2-enoyl]oxymethyl]phenyl]methyl (Z)-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxybut-2-enoate
CID 88841953
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18715866
(1,2,2,6,6-pentamethylpiperidin-4-yl) 3-diphenylphosphanyl-2-methylpropanoate
CID 139986108
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-fluoro-5-iodobenzoate
CID 170392992
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
N,N-bis(2-amino-2-oxoethyl)-3-nitrobenzamide
CID 20505193

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]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate (CID 54392170) is (1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[[3-[bis[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[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)c2cccc(C(=O)N(CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)CC(=O)OC3CC(C)(C)N(C)C(C)(C)C3)c2)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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate?
The InChIKey is VHKGLXVTQFLSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H92N6O10/c1-49(2)25-39(26-50(3,4)57(49)17)69-43(63)33-61(34-44(64)70-40-27-51(5,6)58(18)52(7,8)28-40)47(67)37-22-21-23-38(24-37)48(68)62(35-45(65)71-41-29-53(9,10)59(19)54(11,12)30-41)36-46(66)72-42-31-55(13,14)60(20)56(15,16)32-42/h21-24,39-42H,25-36H2,1-20H3.
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]carbamoyl]benzoyl]-[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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate has a molecular weight of 1009.38 g/mol, XLogP of 7.35, 14 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]carbamoyl]benzoyl]-[2-oxo-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]amino]acetate is sourced from PubChem (CID 54392170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).