tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate

C14H22N4O3 — CID 91809708

IUPACtert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-8-18(9-10)11-12(19)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyRLKFVWILYFZZED-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate

tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate (PubChem CID 91809708) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate
PubChem CID91809708
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(c2ncc[nH]c2=O)C1
InChIInChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-8-18(9-10)11-12(19)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyRLKFVWILYFZZED-UHFFFAOYSA-N
XLogP1.26
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate (CID 91809708) is tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(c2ncc[nH]c2=O)C1.
What is the InChIKey of tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate?
The InChIKey is RLKFVWILYFZZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)21-13(20)17-10-5-4-8-18(9-10)11-12(19)16-7-6-15-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]carbamate is sourced from PubChem (CID 91809708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).