5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine

C19H20N4O — CID 136554180

IUPAC5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine
SMILESCc1ccc(OC2CCN(c3nccc4nccnc34)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-14-2-4-15(5-3-14)24-16-7-12-23(13-8-16)19-18-17(6-9-22-19)20-10-11-21-18/h2-6,9-11,16H,7-8,12-13H2,1H3
InChIKeyNAPPHULMCWPADD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.38
Rot. Bonds3

About 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine

5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine (PubChem CID 136554180) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine
PubChem CID136554180
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine
SMILESCc1ccc(OC2CCN(c3nccc4nccnc34)CC2)cc1
InChIInChI=1S/C19H20N4O/c1-14-2-4-15(5-3-14)24-16-7-12-23(13-8-16)19-18-17(6-9-22-19)20-10-11-21-18/h2-6,9-11,16H,7-8,12-13H2,1H3
InChIKeyNAPPHULMCWPADD-UHFFFAOYSA-N
XLogP3.38
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-Phenoxy-2-pyridin-3-ylquinazoline
CID 872375
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine
CID 134611709
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine?
The IUPAC name of 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine (CID 136554180) is 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine is Cc1ccc(OC2CCN(c3nccc4nccnc34)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine?
The InChIKey is NAPPHULMCWPADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-2-4-15(5-3-14)24-16-7-12-23(13-8-16)19-18-17(6-9-22-19)20-10-11-21-18/h2-6,9-11,16H,7-8,12-13H2,1H3.
What are the key properties of 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine?
5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenoxy)piperidin-1-yl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 136554180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).