4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate

C15H25N3O4 — CID 102089804

IUPAC4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate
SMILESCOC(=O)CC(=[N+]=[N-])C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H25N3O4/c1-14(2)8-10(9-15(3,4)18(14)5)22-13(20)11(17-16)7-12(19)21-6/h10H,7-9H2,1-6H3
InChIKeyNOAPBSMTTWXQIT-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.41
Rot. Bonds4

About 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate

4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate (PubChem CID 102089804) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate.

Molecular Properties

Compound Name4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate
PubChem CID102089804
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate
SMILESCOC(=O)CC(=[N+]=[N-])C(=O)OC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C15H25N3O4/c1-14(2)8-10(9-15(3,4)18(14)5)22-13(20)11(17-16)7-12(19)21-6/h10H,7-9H2,1-6H3
InChIKeyNOAPBSMTTWXQIT-UHFFFAOYSA-N
XLogP1.41
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 54002279
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazoacetate
CID 54185038
1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808993
(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-oxononanoate
CID 122576180
1-O-methyl 5-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2,2,4,4-tetramethylpentanedioate
CID 154990497
methoxymethane;1-O-methyl 2-O,3-O-bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-oxopentane-1,2,3-tricarboxylate
CID 144808992
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) propanedioate
CID 20576509

Frequently Asked Questions

What is the IUPAC name of 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate?
The IUPAC name of 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate (CID 102089804) is 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate.
What is the SMILES notation for 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate?
The canonical SMILES for 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate is COC(=O)CC(=[N+]=[N-])C(=O)OC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate?
The InChIKey is NOAPBSMTTWXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-14(2)8-10(9-15(3,4)18(14)5)22-13(20)11(17-16)7-12(19)21-6/h10H,7-9H2,1-6H3.
What are the key properties of 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate?
4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate has a molecular weight of 311.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-methyl 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-diazobutanedioate is sourced from PubChem (CID 102089804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).