[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate

C14H22BrN5O2 — CID 123305693

IUPAC[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1
InChIInChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21)
InChIKeyRKWDDQWXNKZXFQ-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.31
Rot. Bonds2

About [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate

[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 123305693) has the molecular formula C14H22BrN5O2 and a molecular weight of 372.27 g/mol. Its IUPAC name is [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID123305693
Molecular FormulaC14H22BrN5O2
Molecular Weight372.27 g/mol
Exact Mass371.10
IUPAC Name[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1
InChIInChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21)
InChIKeyRKWDDQWXNKZXFQ-UHFFFAOYSA-N
XLogP2.31
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate (CID 123305693) is [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2nc(Br)cnc2N)CC1.
What is the InChIKey of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is RKWDDQWXNKZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5O2/c1-14(2,3)19-13(21)22-9-4-6-20(7-5-9)12-11(16)17-8-10(15)18-12/h8-9H,4-7H2,1-3H3,(H2,16,17)(H,19,21).
What are the key properties of [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 372.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 123305693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).