2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline

C17H23N3O2 — CID 97164923

IUPAC2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
SMILESCOc1nc2ccccc2nc1OCCC[C@@H]1CCCNC1
InChIInChI=1S/C17H23N3O2/c1-21-16-17(20-15-9-3-2-8-14(15)19-16)22-11-5-7-13-6-4-10-18-12-13/h2-3,8-9,13,18H,4-7,10-12H2,1H3/t13-/m0/s1
InChIKeyZYGKYNNCMJOXIY-ZDUSSCGKSA-N
MW301.39 g/mol
LogP2.80
Rot. Bonds6

About 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline

2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline (PubChem CID 97164923) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline.

Molecular Properties

Compound Name2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
PubChem CID97164923
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
SMILESCOc1nc2ccccc2nc1OCCC[C@@H]1CCCNC1
InChIInChI=1S/C17H23N3O2/c1-21-16-17(20-15-9-3-2-8-14(15)19-16)22-11-5-7-13-6-4-10-18-12-13/h2-3,8-9,13,18H,4-7,10-12H2,1H3/t13-/m0/s1
InChIKeyZYGKYNNCMJOXIY-ZDUSSCGKSA-N
XLogP2.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
CID 97164916
2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
2-(3-piperidin-3-ylpropoxy)-1,3-benzoxazole;hydrochloride
CID 71636674
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-(2-piperidin-3-ylethoxy)quinoxaline
CID 62360250
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
5-bromo-4-methoxy-2-(2-piperidin-3-ylethoxy)pyrimidine
CID 106999595
3-nitro-2-[3-[(3R)-piperidin-3-yl]propoxy]pyridine
CID 97177823
3-[2-(2,6-dimethoxyphenoxy)ethyl]piperidine
CID 62356017

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline?
The IUPAC name of 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline (CID 97164923) is 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline.
What is the SMILES notation for 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline?
The canonical SMILES for 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline is COc1nc2ccccc2nc1OCCC[C@@H]1CCCNC1.
What is the InChIKey of 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline?
The InChIKey is ZYGKYNNCMJOXIY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-16-17(20-15-9-3-2-8-14(15)19-16)22-11-5-7-13-6-4-10-18-12-13/h2-3,8-9,13,18H,4-7,10-12H2,1H3/t13-/m0/s1.
What are the key properties of 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline?
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline has a molecular weight of 301.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline is sourced from PubChem (CID 97164923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).