[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium

C15H18N5+ — CID 163910018

IUPAC[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
SMILESCC1CC([NH3+])CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C15H17N5/c1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14/h2-5,10,12H,6,8-9,17H2,1H3/p+1
InChIKeyQRGMQEALXUHLMK-UHFFFAOYSA-O
MW268.34 g/mol
LogP0.96
Rot. Bonds1

About [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium

[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium (PubChem CID 163910018) has the molecular formula C15H18N5+ and a molecular weight of 268.34 g/mol. Its IUPAC name is [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
PubChem CID163910018
Molecular FormulaC15H18N5+
Molecular Weight268.34 g/mol
Exact Mass268.16
IUPAC Name[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium
SMILESCC1CC([NH3+])CN(c2ccc(C#N)c3nccnc23)C1
InChIInChI=1S/C15H17N5/c1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14/h2-5,10,12H,6,8-9,17H2,1H3/p+1
InChIKeyQRGMQEALXUHLMK-UHFFFAOYSA-O
XLogP0.96
TPSA80.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]ethyl]methanesulfonamide
CID 146329643
2-[[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-methylamino]acetamide
CID 169078031
2-amino-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]acetamide
CID 129241344
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]cyclopentanecarboxamide
CID 166764754
(3R)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-methylpentanamide
CID 129241062
8-[(3S,5S)-3-methyl-5-[2-oxo-2-[(2S)-pyrrolidin-2-yl]ethyl]piperidin-1-yl]quinoxaline-5-carbonitrile
CID 160969535
N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-2-(1,1-dioxothietan-3-yl)acetamide
CID 146329452
(3R,4R)-1-(8-cyanoquinoxalin-5-yl)-4-fluoropyrrolidine-3-carboxylic acid
CID 162471317
[3-[[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]amino]-1,1,1-trifluoro-3-oxopropan-2-yl]carbamic acid
CID 129240989
(3R)-N-[(3R,5R)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 169078053
1-(8-cyanoquinoxalin-5-yl)-5-methyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 129241249
(3S)-N-[(3R,5S)-1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]-3-hydroxy-4,4-dimethylpentanamide
CID 129240646

Frequently Asked Questions

What is the IUPAC name of [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium?
The IUPAC name of [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium (CID 163910018) is [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium.
What is the SMILES notation for [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium?
The canonical SMILES for [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium is CC1CC([NH3+])CN(c2ccc(C#N)c3nccnc23)C1.
What is the InChIKey of [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium?
The InChIKey is QRGMQEALXUHLMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N5/c1-10-6-12(17)9-20(8-10)13-3-2-11(7-16)14-15(13)19-5-4-18-14/h2-5,10,12H,6,8-9,17H2,1H3/p+1.
What are the key properties of [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium?
[1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium has a molecular weight of 268.34 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-cyanoquinoxalin-5-yl)-5-methylpiperidin-3-yl]azanium is sourced from PubChem (CID 163910018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).