(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate

C22H42N4O6 — CID 54536773

IUPAC(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate
SMILESCON1C(C)(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C22H42N4O6/c1-19(2)11-15(12-20(3,4)25(19)29-9)31-17(27)23-24-18(28)32-16-13-21(5,6)26(30-10)22(7,8)14-16/h15-16H,11-14H2,1-10H3,(H,23,27)(H,24,28)
InChIKeyZAIJHIMRCKQLCD-UHFFFAOYSA-N
MW458.60 g/mol
LogP3.52
Rot. Bonds4

About (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate

(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate (PubChem CID 54536773) has the molecular formula C22H42N4O6 and a molecular weight of 458.60 g/mol. Its IUPAC name is (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate.

Molecular Properties

Compound Name(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate
PubChem CID54536773
Molecular FormulaC22H42N4O6
Molecular Weight458.60 g/mol
Exact Mass458.31
IUPAC Name(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate
SMILESCON1C(C)(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C22H42N4O6/c1-19(2)11-15(12-20(3,4)25(19)29-9)31-17(27)23-24-18(28)32-16-13-21(5,6)26(30-10)22(7,8)14-16/h15-16H,11-14H2,1-10H3,(H,23,27)(H,24,28)
InChIKeyZAIJHIMRCKQLCD-UHFFFAOYSA-N
XLogP3.52
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) carbonochloridate
CID 54035365
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) (4-methylphenyl)methyl carbonate
CID 88974835
1-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylprop-2-en-1-one
CID 90169474
1-methoxy-2,2,6,6-tetramethylpiperidine-4-thiol
CID 118941559
1-methoxy-2,2,6,6-tetramethylpiperidin-4-olate
CID 71297217
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
tris(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 6-oxoheptane-1,2,4-tricarboxylate
CID 18716423
4-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxybutanoic acid
CID 59891522
1-O-(1-hydroxy-2,2,7,7-tetramethylazepan-4-yl) 4-O-(1-methoxy-2,2,7,7-tetramethylazepan-4-yl) cyclohexane-1,4-dicarboxylate
CID 129212703
1-O-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-non-1-en-2-yloxypiperidin-4-yl) decanedioate
CID 153219255

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate?
The IUPAC name of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate (CID 54536773) is (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate.
What is the SMILES notation for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate?
The canonical SMILES for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate is CON1C(C)(C)CC(OC(=O)NNC(=O)OC2CC(C)(C)N(OC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate?
The InChIKey is ZAIJHIMRCKQLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O6/c1-19(2)11-15(12-20(3,4)25(19)29-9)31-17(27)23-24-18(28)32-16-13-21(5,6)26(30-10)22(7,8)14-16/h15-16H,11-14H2,1-10H3,(H,23,27)(H,24,28).
What are the key properties of (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate?
(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate has a molecular weight of 458.60 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) N-[(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]carbamate is sourced from PubChem (CID 54536773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).