tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate

C14H21N5O3 — CID 174798238

IUPACtert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(N)c1cnc(C2CCC(=O)NC2)cn1
InChIInChI=1S/C14H21N5O3/c1-14(2,3)22-13(21)19(15)11-8-16-10(7-17-11)9-4-5-12(20)18-6-9/h7-9H,4-6,15H2,1-3H3,(H,18,20)
InChIKeyPSWUJLLUVGJEEB-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.09
Rot. Bonds2

About tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate

tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate (PubChem CID 174798238) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate
PubChem CID174798238
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Nametert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N(N)c1cnc(C2CCC(=O)NC2)cn1
InChIInChI=1S/C14H21N5O3/c1-14(2,3)22-13(21)19(15)11-8-16-10(7-17-11)9-4-5-12(20)18-6-9/h7-9H,4-6,15H2,1-3H3,(H,18,20)
InChIKeyPSWUJLLUVGJEEB-UHFFFAOYSA-N
XLogP1.09
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate?
The IUPAC name of tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate (CID 174798238) is tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate is CC(C)(C)OC(=O)N(N)c1cnc(C2CCC(=O)NC2)cn1.
What is the InChIKey of tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate?
The InChIKey is PSWUJLLUVGJEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-14(2,3)22-13(21)19(15)11-8-16-10(7-17-11)9-4-5-12(20)18-6-9/h7-9H,4-6,15H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate?
tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-amino-N-[5-(6-oxopiperidin-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 174798238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).