tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate

C19H27N3O3 — CID 146868516

IUPACtert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCCc1cnc2oc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1
InChIInChI=1S/C19H27N3O3/c1-5-6-14-12-20-17-15(21-14)11-16(24-17)13-7-9-22(10-8-13)18(23)25-19(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeySMVAFSSFOCYQSH-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.29
Rot. Bonds3

About tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate

tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate (PubChem CID 146868516) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate
PubChem CID146868516
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate
SMILESCCCc1cnc2oc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1
InChIInChI=1S/C19H27N3O3/c1-5-6-14-12-20-17-15(21-14)11-16(24-17)13-7-9-22(10-8-13)18(23)25-19(2,3)4/h11-13H,5-10H2,1-4H3
InChIKeySMVAFSSFOCYQSH-UHFFFAOYSA-N
XLogP4.29
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(2-chlorofuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate
CID 86674884
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-[3-(chloromethyl)-1,2-oxazol-5-yl]piperidine-1-carboxylate
CID 178200886
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 3-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carboxylate
CID 71250559
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl (4R)-4-(1,3-oxazol-5-yl)azepane-1-carboxylate
CID 170904619
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
tert-butyl 4-(1H-pyrazolo[4,3-c]pyridin-6-yl)piperidine-1-carboxylate
CID 168797532
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757
tert-butyl 4-[5-(ethylcarbamoyl)-2-methylpyrimidin-4-yl]piperidine-1-carboxylate
CID 118391853

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate (CID 146868516) is tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate is CCCc1cnc2oc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2n1.
What is the InChIKey of tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate?
The InChIKey is SMVAFSSFOCYQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-6-14-12-20-17-15(21-14)11-16(24-17)13-7-9-22(10-8-13)18(23)25-19(2,3)4/h11-13H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-propylfuro[2,3-b]pyrazin-6-yl)piperidine-1-carboxylate is sourced from PubChem (CID 146868516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).