6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline

C15H18N4O3 — CID 97177904

IUPAC6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCCNC3)cnc2c1
InChIInChI=1S/C15H18N4O3/c20-19(21)12-3-4-13-14(8-12)17-10-15(18-13)22-7-5-11-2-1-6-16-9-11/h3-4,8,10-11,16H,1-2,5-7,9H2/t11-/m0/s1
InChIKeyGYXBGEDFKRDEFT-NSHDSACASA-N
MW302.33 g/mol
LogP2.31
Rot. Bonds5

About 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline

6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline (PubChem CID 97177904) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline.

Molecular Properties

Compound Name6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
PubChem CID97177904
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline
SMILESO=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCCNC3)cnc2c1
InChIInChI=1S/C15H18N4O3/c20-19(21)12-3-4-13-14(8-12)17-10-15(18-13)22-7-5-11-2-1-6-16-9-11/h3-4,8,10-11,16H,1-2,5-7,9H2/t11-/m0/s1
InChIKeyGYXBGEDFKRDEFT-NSHDSACASA-N
XLogP2.31
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-piperidin-3-ylethoxy)quinoxaline
CID 62360250
6-nitro-2-(2-piperidin-2-ylethoxy)quinoxaline;hydrochloride
CID 71635812
6-nitro-2-[[(3S)-piperidin-3-yl]methylsulfanyl]quinoxaline
CID 97178149
6-nitro-2-[(S)-[(3R)-piperidin-3-yl]methylsulfinyl]quinoxaline
CID 97178132
(3S)-3-[2-(4-nitrophenoxy)ethyl]piperidine
CID 86321527
3-[2-(2-methoxy-5-nitrophenoxy)ethyl]piperidine
CID 62356704
5-nitro-2-[3-[(3S)-piperidin-3-yl]propoxy]-1,3-benzothiazole
CID 97177956
4-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 79176653
6-nitro-2-[[(3S)-pyrrolidin-3-yl]methylsulfonyl]quinoxaline
CID 97178113
6-nitro-2-(pyrrolidin-3-ylmethylsulfonyl)quinoxaline
CID 71636216
3-methyl-5-nitro-2-(2-piperidin-3-ylethoxy)pyridine
CID 62475730
3-[2-[2-(4-nitrophenyl)ethoxy]ethyl]piperidine
CID 62357182

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline?
The IUPAC name of 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline (CID 97177904) is 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline.
What is the SMILES notation for 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline?
The canonical SMILES for 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline is O=[N+]([O-])c1ccc2nc(OCC[C@@H]3CCCNC3)cnc2c1.
What is the InChIKey of 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline?
The InChIKey is GYXBGEDFKRDEFT-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N4O3/c20-19(21)12-3-4-13-14(8-12)17-10-15(18-13)22-7-5-11-2-1-6-16-9-11/h3-4,8,10-11,16H,1-2,5-7,9H2/t11-/m0/s1.
What are the key properties of 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline?
6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline has a molecular weight of 302.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[2-[(3S)-piperidin-3-yl]ethoxy]quinoxaline is sourced from PubChem (CID 97177904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).