tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate

C14H22N4O2 — CID 18374657

IUPACtert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-11(5-9-18)17-12-10-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyYYOVPWHLCQOIIE-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.29
Rot. Bonds2

About tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate

tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate (PubChem CID 18374657) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate
PubChem CID18374657
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nametert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2cnccn2)CC1
InChIInChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-11(5-9-18)17-12-10-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyYYOVPWHLCQOIIE-UHFFFAOYSA-N
XLogP2.29
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate (CID 18374657) is tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2cnccn2)CC1.
What is the InChIKey of tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate?
The InChIKey is YYOVPWHLCQOIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-8-4-11(5-9-18)17-12-10-15-6-7-16-12/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate?
tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(pyrazin-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 18374657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).