[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

C22H27N3O3 — CID 95823111

IUPAC[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-4-6-19(7-5-16)28-21-20(23-10-11-24-21)18-3-2-12-25(15-18)22(26)17-8-13-27-14-9-17/h4-7,10-11,17-18H,2-3,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyGSZAYBIHJBAHKO-GOSISDBHSA-N
MW381.48 g/mol
LogP3.71
Rot. Bonds4

About [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone

[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 95823111) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID95823111
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-16-4-6-19(7-5-16)28-21-20(23-10-11-24-21)18-3-2-12-25(15-18)22(26)17-8-13-27-14-9-17/h4-7,10-11,17-18H,2-3,8-9,12-15H2,1H3/t18-/m1/s1
InChIKeyGSZAYBIHJBAHKO-GOSISDBHSA-N
XLogP3.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone (CID 95823111) is [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is Cc1ccc(Oc2nccnc2[C@@H]2CCCN(C(=O)C3CCOCC3)C2)cc1.
What is the InChIKey of [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is GSZAYBIHJBAHKO-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-4-6-19(7-5-16)28-21-20(23-10-11-24-21)18-3-2-12-25(15-18)22(26)17-8-13-27-14-9-17/h4-7,10-11,17-18H,2-3,8-9,12-15H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone?
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 381.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 95823111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).