(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium

C15H22N3O4+ — CID 91515194

IUPAC(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium
SMILESCC(C)(C)O[N+](=O)c1ccnc(OC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N3O4/c1-15(2,3)22-18(20)12-7-8-16-13(11-12)21-14(19)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3/q+1
InChIKeyUHBDLJWJMQAGEU-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.21
Rot. Bonds3

About (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium

(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium (PubChem CID 91515194) has the molecular formula C15H22N3O4+ and a molecular weight of 308.36 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium
PubChem CID91515194
Molecular FormulaC15H22N3O4+
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium
SMILESCC(C)(C)O[N+](=O)c1ccnc(OC(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N3O4/c1-15(2,3)22-18(20)12-7-8-16-13(11-12)21-14(19)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3/q+1
InChIKeyUHBDLJWJMQAGEU-UHFFFAOYSA-N
XLogP3.21
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-tert-butylimidazol-4-yl) piperidine-1-carboxylate
CID 175432180
pyrazin-2-yl pyrrolidine-1-carboxylate
CID 154365192
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
[4-(trifluoromethyl)-2-pyridinyl] morpholine-4-carboxylate
CID 142667840
[6-amino-1,3-dioxo-2-(piperidine-1-carbonyloxy)isoindol-5-yl]-[(2-methylpropan-2-yl)oxy]-oxoazanium
CID 90854213
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
(6-tert-butyl-3-pyridinyl) azetidine-1-carboxylate
CID 175498808
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
(2,4-dinitrophenyl) piperidine-1-carboxylate
CID 130386205
1,2-oxazol-5-yl piperidine-1-carboxylate
CID 24866165
azane;tert-butyl piperidine-1-carboxylate
CID 134583959

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium?
The IUPAC name of (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium (CID 91515194) is (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium?
The canonical SMILES for (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium is CC(C)(C)O[N+](=O)c1ccnc(OC(=O)N2CCCCC2)c1.
What is the InChIKey of (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium?
The InChIKey is UHBDLJWJMQAGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3O4/c1-15(2,3)22-18(20)12-7-8-16-13(11-12)21-14(19)17-9-5-4-6-10-17/h7-8,11H,4-6,9-10H2,1-3H3/q+1.
What are the key properties of (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium?
(2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium has a molecular weight of 308.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-oxo-[2-(piperidine-1-carbonyloxy)-4-pyridinyl]azanium is sourced from PubChem (CID 91515194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).