tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

C20H29N5O2 — CID 59178894

IUPACtert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C#N)n3)CC2)CC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-10-6-16(7-11-25)15-4-8-24(9-5-15)18-14-22-13-17(12-21)23-18/h13-16H,4-11H2,1-3H3
InChIKeyUGVSURZVGPJZKR-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 59178894) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID59178894
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Nametert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C#N)n3)CC2)CC1
InChIInChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-10-6-16(7-11-25)15-4-8-24(9-5-15)18-14-22-13-17(12-21)23-18/h13-16H,4-11H2,1-3H3
InChIKeyUGVSURZVGPJZKR-UHFFFAOYSA-N
XLogP3.21
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate (CID 59178894) is tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCN(c3cncc(C#N)n3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is UGVSURZVGPJZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-20(2,3)27-19(26)25-10-6-16(7-11-25)15-4-8-24(9-5-15)18-14-22-13-17(12-21)23-18/h13-16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(6-cyanopyrazin-2-yl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 59178894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).