2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine

C17H22N4O — CID 95821868

IUPAC2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
SMILESCC(C)N1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1
InChIInChI=1S/C17H22N4O/c1-13(2)21-8-4-5-14(12-21)16-10-19-11-17(20-16)22-15-6-3-7-18-9-15/h3,6-7,9-11,13-14H,4-5,8,12H2,1-2H3/t14-/m0/s1
InChIKeyKMRMMUJQDBSJQG-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.25
Rot. Bonds4

About 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine

2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine (PubChem CID 95821868) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine.

Molecular Properties

Compound Name2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
PubChem CID95821868
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine
SMILESCC(C)N1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1
InChIInChI=1S/C17H22N4O/c1-13(2)21-8-4-5-14(12-21)16-10-19-11-17(20-16)22-15-6-3-7-18-9-15/h3,6-7,9-11,13-14H,4-5,8,12H2,1-2H3/t14-/m0/s1
InChIKeyKMRMMUJQDBSJQG-AWEZNQCLSA-N
XLogP3.25
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine?
The IUPAC name of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine (CID 95821868) is 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine.
What is the SMILES notation for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine?
The canonical SMILES for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine is CC(C)N1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1.
What is the InChIKey of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine?
The InChIKey is KMRMMUJQDBSJQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13(2)21-8-4-5-14(12-21)16-10-19-11-17(20-16)22-15-6-3-7-18-9-15/h3,6-7,9-11,13-14H,4-5,8,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine?
2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine has a molecular weight of 298.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]-6-pyridin-3-yloxypyrazine is sourced from PubChem (CID 95821868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).