[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone

C20H20N4O2 — CID 90649817

IUPAC[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(19-13-22-17-5-1-2-6-18(17)23-19)24-10-7-16(8-11-24)26-14-15-4-3-9-21-12-15/h1-6,9,12-13,16H,7-8,10-11,14H2
InChIKeyGYSGZCHAEVAAQE-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.85
Rot. Bonds4

About [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone

[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 90649817) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID90649817
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C20H20N4O2/c25-20(19-13-22-17-5-1-2-6-18(17)23-19)24-10-7-16(8-11-24)26-14-15-4-3-9-21-12-15/h1-6,9,12-13,16H,7-8,10-11,14H2
InChIKeyGYSGZCHAEVAAQE-UHFFFAOYSA-N
XLogP2.85
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
3-(1H-benzimidazol-2-yl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70764362
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 90649817) is [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is GYSGZCHAEVAAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(19-13-22-17-5-1-2-6-18(17)23-19)24-10-7-16(8-11-24)26-14-15-4-3-9-21-12-15/h1-6,9,12-13,16H,7-8,10-11,14H2.
What are the key properties of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 90649817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).