[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

C16H23N3O — CID 107356403

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H23N3O/c1-11-6-5-7-12(2)19(11)16(20)15-10-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,11-12,15,17-18H,5-7,10H2,1-2H3/t11-,12+,15?
InChIKeyYBQXEWGFWCKXLU-ODOQXGPZSA-N
MW273.38 g/mol
LogP2.68
Rot. Bonds1

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (PubChem CID 107356403) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
PubChem CID107356403
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)C1CNc2ccccc2N1
InChIInChI=1S/C16H23N3O/c1-11-6-5-7-12(2)19(11)16(20)15-10-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,11-12,15,17-18H,5-7,10H2,1-2H3/t11-,12+,15?
InChIKeyYBQXEWGFWCKXLU-ODOQXGPZSA-N
XLogP2.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone (CID 107356403) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is C[C@@H]1CCC[C@H](C)N1C(=O)C1CNc2ccccc2N1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
The InChIKey is YBQXEWGFWCKXLU-ODOQXGPZSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11-6-5-7-12(2)19(11)16(20)15-10-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,11-12,15,17-18H,5-7,10H2,1-2H3/t11-,12+,15?.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-2-yl)methanone is sourced from PubChem (CID 107356403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).