tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate

C20H25N3O2 — CID 58547634

IUPACtert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nccnc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)25-19(24)23-13-9-16(10-14-23)18-17(21-11-12-22-18)15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13-14H2,1-3H3
InChIKeyVAUXMAYUXGDSMN-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.26
Rot. Bonds2

About tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate

tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate (PubChem CID 58547634) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
PubChem CID58547634
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Nametert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nccnc2-c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-20(2,3)25-19(24)23-13-9-16(10-14-23)18-17(21-11-12-22-18)15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13-14H2,1-3H3
InChIKeyVAUXMAYUXGDSMN-UHFFFAOYSA-N
XLogP4.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-1-carboxylate
CID 58547533
tert-butyl 4-[3-(2-hydroxyethylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 138487958
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(2-phenylpyrazol-3-yl)piperidine-1-carboxylate
CID 122643880
tert-butyl 4-[4-(4-fluorophenyl)-5-phenyl-1,3-oxazol-2-yl]piperidine-1-carboxylate
CID 59486870
bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
CID 174701609
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylate
CID 59731869
tert-butyl 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperidine-1-carboxylate
CID 170172496

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate (CID 58547634) is tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nccnc2-c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate?
The InChIKey is VAUXMAYUXGDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-20(2,3)25-19(24)23-13-9-16(10-14-23)18-17(21-11-12-22-18)15-7-5-4-6-8-15/h4-8,11-12,16H,9-10,13-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58547634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).