tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate

C18H29N3O3 — CID 71633709

IUPACtert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
SMILESCC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C18H29N3O3/c1-14(16-12-19-8-9-20-16)23-11-7-15-6-5-10-21(13-15)17(22)24-18(2,3)4/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3
InChIKeyLJTLFAVHFNGAOY-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate

tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate (PubChem CID 71633709) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
PubChem CID71633709
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate
SMILESCC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1
InChIInChI=1S/C18H29N3O3/c1-14(16-12-19-8-9-20-16)23-11-7-15-6-5-10-21(13-15)17(22)24-18(2,3)4/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3
InChIKeyLJTLFAVHFNGAOY-UHFFFAOYSA-N
XLogP3.59
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-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 (3S)-3-[[(1S)-1-pyrazin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175881
tert-butyl 3-[2-(1-pyridin-2-ylethoxy)ethyl]piperidine-1-carboxylate
CID 71633708
tert-butyl (3R)-3-[[(1R)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175928
tert-butyl 4-[3-[(1S)-1-pyrazin-2-ylethoxy]propyl]piperidine-1-carboxylate
CID 97176061
tert-butyl 3-(1-pyrazin-2-ylethoxy)piperidine-1-carboxylate
CID 71633656
tert-butyl 3-(1-pyrazin-2-ylethoxy)pyrrolidine-1-carboxylate
CID 71633662
tert-butyl (3R)-3-[[(1R)-1-pyridin-2-ylethoxy]methyl]piperidine-1-carboxylate
CID 97175876
tert-butyl 3-[2-[1-(1H-pyrrol-2-yl)ethoxy]ethyl]piperidine-1-carboxylate
CID 71633705
tert-butyl (3S)-3-(2-pyrimidin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172143
tert-butyl (2R)-2-[[(1S)-1-pyrazin-2-ylethoxy]methyl]pyrrolidine-1-carboxylate
CID 97175905
tert-butyl 4-[(1S)-1-pyrazin-2-ylethoxy]piperidine-1-carboxylate
CID 97175835
tert-butyl 3-(pyrazin-2-ylsulfinylmethyl)piperidine-1-carboxylate
CID 71631285

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate (CID 71633709) is tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate is CC(OCCC1CCCN(C(=O)OC(C)(C)C)C1)c1cnccn1.
What is the InChIKey of tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
The InChIKey is LJTLFAVHFNGAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-14(16-12-19-8-9-20-16)23-11-7-15-6-5-10-21(13-15)17(22)24-18(2,3)4/h8-9,12,14-15H,5-7,10-11,13H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate?
tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(1-pyrazin-2-ylethoxy)ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 71633709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).