1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone

C17H21N7O2 — CID 95794105

IUPAC1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)Nc2ccccc21
InChIInChI=1S/C17H21N7O2/c1-13(25)24-11-17(19-14-4-2-3-5-15(14)24)6-8-22(9-7-17)16(26)10-23-12-18-20-21-23/h2-5,12,19H,6-11H2,1H3
InChIKeyFCDSMWSSXZVBML-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.51
Rot. Bonds2

About 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone

1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 95794105) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID95794105
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone
SMILESCC(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)Nc2ccccc21
InChIInChI=1S/C17H21N7O2/c1-13(25)24-11-17(19-14-4-2-3-5-15(14)24)6-8-22(9-7-17)16(26)10-23-12-18-20-21-23/h2-5,12,19H,6-11H2,1H3
InChIKeyFCDSMWSSXZVBML-UHFFFAOYSA-N
XLogP0.51
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone (CID 95794105) is 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone is CC(=O)N1CC2(CCN(C(=O)Cn3cnnn3)CC2)Nc2ccccc21.
What is the InChIKey of 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is FCDSMWSSXZVBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-13(25)24-11-17(19-14-4-2-3-5-15(14)24)6-8-22(9-7-17)16(26)10-23-12-18-20-21-23/h2-5,12,19H,6-11H2,1H3.
What are the key properties of 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone?
1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 355.40 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylspiro[1,3-dihydroquinoxaline-2,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 95794105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).