8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile

C26H34N6 — CID 151492692

IUPAC8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC(N4CCCCC4)CC3)C3(CC3)C2)c2nccnc12
InChIInChI=1S/C26H34N6/c27-16-20-4-5-23(25-24(20)28-10-11-29-25)32-18-21(26(19-32)8-9-26)17-30-14-6-22(7-15-30)31-12-2-1-3-13-31/h4-5,10-11,21-22H,1-3,6-9,12-15,17-19H2
InChIKeyPOUHMYUDCQYYIW-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.67
Rot. Bonds4

About 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile

8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile (PubChem CID 151492692) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile
PubChem CID151492692
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC Name8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile
SMILESN#Cc1ccc(N2CC(CN3CCC(N4CCCCC4)CC3)C3(CC3)C2)c2nccnc12
InChIInChI=1S/C26H34N6/c27-16-20-4-5-23(25-24(20)28-10-11-29-25)32-18-21(26(19-32)8-9-26)17-30-14-6-22(7-15-30)31-12-2-1-3-13-31/h4-5,10-11,21-22H,1-3,6-9,12-15,17-19H2
InChIKeyPOUHMYUDCQYYIW-UHFFFAOYSA-N
XLogP3.67
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile with MolForge

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Related Compounds

5-[(2R,6R)-2-methyl-6-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007104
(7R)-5-(8-cyanoquinoxalin-5-yl)-N-(1-methylpiperidin-4-yl)-5-azaspiro[2.4]heptane-7-carboxamide
CID 146424788
8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329141
8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329690
5-[3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]quinoline-8-carbonitrile
CID 118006406
8-[(3S)-3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-5-carbonitrile
CID 162615128
8-[(3S,4R)-3-(2,7-diazaspiro[3.5]nonan-2-ylmethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-5-carbonitrile
CID 150414895
8-[(3S)-3-(2,9-diazaspiro[5.5]undecan-9-ylmethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]quinoxaline-5-carbonitrile
CID 166711665
4-bromo-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 112694656
5-fluoro-2-(4-piperidin-1-ylpiperidin-1-yl)benzonitrile
CID 63668522
8-(3-amino-4-fluoropiperidin-1-yl)quinoxaline-5-carbonitrile;hydrochloride
CID 129240614
5-[(2R,6R)-2-[[4-(4-acetylpiperazin-1-yl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006372

Frequently Asked Questions

What is the IUPAC name of 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile (CID 151492692) is 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile is N#Cc1ccc(N2CC(CN3CCC(N4CCCCC4)CC3)C3(CC3)C2)c2nccnc12.
What is the InChIKey of 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile?
The InChIKey is POUHMYUDCQYYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c27-16-20-4-5-23(25-24(20)28-10-11-29-25)32-18-21(26(19-32)8-9-26)17-30-14-6-22(7-15-30)31-12-2-1-3-13-31/h4-5,10-11,21-22H,1-3,6-9,12-15,17-19H2.
What are the key properties of 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile?
8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile has a molecular weight of 430.60 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-5-azaspiro[2.4]heptan-5-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 151492692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).