tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate

C15H23N3O3 — CID 71634822

IUPACtert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCc1nccnc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H23N3O3/c1-11-13(17-8-7-16-11)20-12-6-5-9-18(10-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyWROWOFFOJLIQKJ-LBPRGKRZSA-N
MW293.37 g/mol
LogP2.56
Rot. Bonds2

About tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate

tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 71634822) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
PubChem CID71634822
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nametert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
SMILESCc1nccnc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H23N3O3/c1-11-13(17-8-7-16-11)20-12-6-5-9-18(10-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3/t12-/m0/s1
InChIKeyWROWOFFOJLIQKJ-LBPRGKRZSA-N
XLogP2.56
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3S)-3-[(3-methylpyrazin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 95731970
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl 3-pyrazin-2-yloxypiperidine-1-carboxylate
CID 24902489
tert-butyl 3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 76819357
tert-butyl (3R)-3-(3-chloropyrazin-2-yl)oxypyrrolidine-1-carboxylate
CID 58548011
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-(3-ethenylimidazo[1,2-a]pyrazin-8-yl)oxypiperidine-1-carboxylate
CID 145108161
tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
CID 71648506

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate (CID 71634822) is tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate is Cc1nccnc1O[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is WROWOFFOJLIQKJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-13(17-8-7-16-11)20-12-6-5-9-18(10-12)14(19)21-15(2,3)4/h7-8,12H,5-6,9-10H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate?
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 71634822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).