(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

C17H19N3O3 — CID 90558989

IUPAC(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-4-2-13(3-5-14)17(21)20-10-6-15(7-11-20)23-16-12-18-8-9-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3
InChIKeyBZKOROYCRQXCDA-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.17
Rot. Bonds4

About (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone

(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (PubChem CID 90558989) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
PubChem CID90558989
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-4-2-13(3-5-14)17(21)20-10-6-15(7-11-20)23-16-12-18-8-9-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3
InChIKeyBZKOROYCRQXCDA-UHFFFAOYSA-N
XLogP2.17
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257
(4-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 44781860
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone (CID 90558989) is (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is COc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is BZKOROYCRQXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-4-2-13(3-5-14)17(21)20-10-6-15(7-11-20)23-16-12-18-8-9-19-16/h2-5,8-9,12,15H,6-7,10-11H2,1H3.
What are the key properties of (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone?
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 90558989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).