2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone

C18H21N3OS — CID 83515097

IUPAC2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone
SMILESO=C(CN1CC2(CCNCC2)Nc2ccccc21)c1cccs1
InChIInChI=1S/C18H21N3OS/c22-16(17-6-3-11-23-17)12-21-13-18(7-9-19-10-8-18)20-14-4-1-2-5-15(14)21/h1-6,11,19-20H,7-10,12-13H2
InChIKeyYTCIJFBLPVLGBP-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.99
Rot. Bonds3

About 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone

2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone (PubChem CID 83515097) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone
PubChem CID83515097
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone
SMILESO=C(CN1CC2(CCNCC2)Nc2ccccc21)c1cccs1
InChIInChI=1S/C18H21N3OS/c22-16(17-6-3-11-23-17)12-21-13-18(7-9-19-10-8-18)20-14-4-1-2-5-15(14)21/h1-6,11,19-20H,7-10,12-13H2
InChIKeyYTCIJFBLPVLGBP-UHFFFAOYSA-N
XLogP2.99
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone?
The IUPAC name of 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone (CID 83515097) is 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone is O=C(CN1CC2(CCNCC2)Nc2ccccc21)c1cccs1.
What is the InChIKey of 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone?
The InChIKey is YTCIJFBLPVLGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c22-16(17-6-3-11-23-17)12-21-13-18(7-9-19-10-8-18)20-14-4-1-2-5-15(14)21/h1-6,11,19-20H,7-10,12-13H2.
What are the key properties of 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone?
2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone has a molecular weight of 327.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2,4-dihydroquinoxaline-3,4'-piperidine]-1-yl-1-thiophen-2-ylethanone is sourced from PubChem (CID 83515097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).