tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate

C18H27BrN4O3 — CID 90774753

IUPACtert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(Br)cnc2N2CCCC2)CC1
InChIInChI=1S/C18H27BrN4O3/c1-18(2,3)26-17(24)23-10-6-13(7-11-23)25-16-15(20-12-14(19)21-16)22-8-4-5-9-22/h12-13H,4-11H2,1-3H3
InChIKeySUDJSYKCJLZLOO-UHFFFAOYSA-N
MW427.34 g/mol
LogP3.62
Rot. Bonds3

About tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate

tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 90774753) has the molecular formula C18H27BrN4O3 and a molecular weight of 427.34 g/mol. Its IUPAC name is tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
PubChem CID90774753
Molecular FormulaC18H27BrN4O3
Molecular Weight427.34 g/mol
Exact Mass426.13
IUPAC Nametert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Oc2nc(Br)cnc2N2CCCC2)CC1
InChIInChI=1S/C18H27BrN4O3/c1-18(2,3)26-17(24)23-10-6-13(7-11-23)25-16-15(20-12-14(19)21-16)22-8-4-5-9-22/h12-13H,4-11H2,1-3H3
InChIKeySUDJSYKCJLZLOO-UHFFFAOYSA-N
XLogP3.62
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 4-(5-bromo-3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 167350484
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)-1,4-diazepane-1-carboxylate
CID 91527425
tert-butyl 4-[(6-bromo-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 119087105
tert-butyl 4-[(5-bromo-1,3-thiazol-2-yl)oxy]piperidine-1-carboxylate
CID 90288728
tert-butyl 4-(5-bromo-3-hydrazinylpyrazin-2-yl)piperazine-1-carboxylate
CID 58447020
tert-butyl 4-(5-methyl-6-piperazin-1-ylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 135219469
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[5-(piperidine-1-carbonyl)pyrimidin-2-yl]oxypiperidine-1-carboxylate
CID 23115989
tert-butyl 4-(5-iodopyrimidin-2-yl)oxypiperidine-1-carboxylate
CID 67529349
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl 4-(6-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate (CID 90774753) is tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Oc2nc(Br)cnc2N2CCCC2)CC1.
What is the InChIKey of tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is SUDJSYKCJLZLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN4O3/c1-18(2,3)26-17(24)23-10-6-13(7-11-23)25-16-15(20-12-14(19)21-16)22-8-4-5-9-22/h12-13H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate?
tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 427.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-bromo-3-pyrrolidin-1-ylpyrazin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 90774753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).