tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate

C14H21N3O3 — CID 24902489

IUPACtert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-8-4-5-11(10-17)19-12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQZKMRQRVSATFCG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.25
Rot. Bonds2

About tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate

tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate (PubChem CID 24902489) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
PubChem CID24902489
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Oc2cnccn2)C1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-8-4-5-11(10-17)19-12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyQZKMRQRVSATFCG-UHFFFAOYSA-N
XLogP2.25
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-pyrazin-2-yloxypiperidine-1-carboxylate;ethane
CID 46739871
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl (3R)-3-[[4-(difluoromethoxy)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 144697957
(5S)-5-[(3R)-3-pyrazin-2-yloxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 100644338
tert-butyl (3S)-3-pyrazin-2-ylsulfanylpiperidine-1-carboxylate
CID 97031778
tert-butyl 3-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 122257425
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-[6-(cyclopropylamino)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 97114475
tert-butyl (3S)-3-[(6-bromo-4-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 155757653

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate (CID 24902489) is tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Oc2cnccn2)C1.
What is the InChIKey of tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate?
The InChIKey is QZKMRQRVSATFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-8-4-5-11(10-17)19-12-9-15-6-7-16-12/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate?
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate is sourced from PubChem (CID 24902489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).