[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone

C21H22N4O2 — CID 155801183

IUPAC[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1cnccc1OCC1CCN(C(=O)c2ccc3nccnc3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-13-22-7-4-20(15)27-14-16-5-10-25(11-6-16)21(26)17-2-3-18-19(12-17)24-9-8-23-18/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3
InChIKeyGBCOYMWEKLAVOD-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.26
Rot. Bonds4

About [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone

[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 155801183) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID155801183
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESCc1cnccc1OCC1CCN(C(=O)c2ccc3nccnc3c2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-13-22-7-4-20(15)27-14-16-5-10-25(11-6-16)21(26)17-2-3-18-19(12-17)24-9-8-23-18/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3
InChIKeyGBCOYMWEKLAVOD-UHFFFAOYSA-N
XLogP3.26
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone with MolForge

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Related Compounds

2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 163348189
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 155800929
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
[4-(phenoxymethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638786
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 157013388
(3-methoxy-4-methylphenyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136519929
[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 71793080
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone (CID 155801183) is [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone is Cc1cnccc1OCC1CCN(C(=O)c2ccc3nccnc3c2)CC1.
What is the InChIKey of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is GBCOYMWEKLAVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-13-22-7-4-20(15)27-14-16-5-10-25(11-6-16)21(26)17-2-3-18-19(12-17)24-9-8-23-18/h2-4,7-9,12-13,16H,5-6,10-11,14H2,1H3.
What are the key properties of [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone?
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 155801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).