CID 166570481

C25H41N4O6+ — CID 166570481

IUPAC—
SMILESCC1(C)CC(OC(=O)Cn2cc[n+](CC(=O)OC3CC(C)(C)N([O])C(C)(C)C3)c2)CC(C)(C)N1[O]
InChIInChI=1S/C25H41N4O6/c1-22(2)11-18(12-23(3,4)28(22)32)34-20(30)15-26-9-10-27(17-26)16-21(31)35-19-13-24(5,6)29(33)25(7,8)14-19/h9-10,17-19H,11-16H2,1-8H3/q+1
InChIKeyJALUCLJLONNVTN-UHFFFAOYSA-N
MW493.63 g/mol
LogP2.60
Rot. Bonds6

About CID 166570481

CID 166570481 (PubChem CID 166570481) has the molecular formula C25H41N4O6+ and a molecular weight of 493.63 g/mol.

Molecular Properties

Compound NameCID 166570481
PubChem CID166570481
Molecular FormulaC25H41N4O6+
Molecular Weight493.63 g/mol
Exact Mass493.30
IUPAC Name—
SMILESCC1(C)CC(OC(=O)Cn2cc[n+](CC(=O)OC3CC(C)(C)N([O])C(C)(C)C3)c2)CC(C)(C)N1[O]
InChIInChI=1S/C25H41N4O6/c1-22(2)11-18(12-23(3,4)28(22)32)34-20(30)15-26-9-10-27(17-26)16-21(31)35-19-13-24(5,6)29(33)25(7,8)14-19/h9-10,17-19H,11-16H2,1-8H3/q+1
InChIKeyJALUCLJLONNVTN-UHFFFAOYSA-N
XLogP2.60
TPSA107.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

CID 11154897
CID 11154897
(2,2,6,6-Tetramethyl-1-oxidopiperidin-4-yl) 2-(3-methylimidazol-3-ium-1-yl)acetate
CID 59510316
(2,2,6,6-Tetramethyl-1-oxidopiperidin-4-yl) 2-imidazol-1-ylacetate
CID 59510326
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-imidazol-1-ylacetate
CID 68256455
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-(3-methylimidazol-3-ium-1-yl)acetate
CID 88911242
Ethane;(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-[3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-oxopropyl]imidazol-3-ium-1-yl]propanoate
CID 166148897
1-Hydroxy-4-[3-[3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]imidazol-1-ium-1-yl]propoxy]-2,2,6,6-tetramethylpiperidine
CID 166148904
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-[3-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-oxoethyl]imidazol-3-ium-1-yl]acetate
CID 166148916
CID 166570487
CID 166570487
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-[3-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-oxopropyl]imidazol-3-ium-1-yl]propanoate
CID 167290042
2-[3-[2-Hydroxy-2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethyl]imidazol-3-ium-1-yl]-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethanol hexafluorophosphate
CID 174618419
CID 11154896
CID 11154896

Frequently Asked Questions

What is the IUPAC name of CID 166570481?
The IUPAC name of CID 166570481 (CID 166570481) is not available.
What is the SMILES notation for CID 166570481?
The canonical SMILES for CID 166570481 is CC1(C)CC(OC(=O)Cn2cc[n+](CC(=O)OC3CC(C)(C)N([O])C(C)(C)C3)c2)CC(C)(C)N1[O].
What is the InChIKey of CID 166570481?
The InChIKey is JALUCLJLONNVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N4O6/c1-22(2)11-18(12-23(3,4)28(22)32)34-20(30)15-26-9-10-27(17-26)16-21(31)35-19-13-24(5,6)29(33)25(7,8)14-19/h9-10,17-19H,11-16H2,1-8H3/q+1.
What are the key properties of CID 166570481?
CID 166570481 has a molecular weight of 493.63 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166570481 is sourced from PubChem (CID 166570481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).