3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile

C19H28N6 — CID 56708629

IUPAC3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H28N6/c20-15-17-18(23-10-9-22-17)25-13-11-24(12-14-25)16-1-3-19(4-2-16)5-7-21-8-6-19/h9-10,16,21H,1-8,11-14H2
InChIKeyOOBIBMNMRWWLFI-UHFFFAOYSA-N
MW340.48 g/mol
LogP1.78
Rot. Bonds2

About 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 56708629) has the molecular formula C19H28N6 and a molecular weight of 340.48 g/mol. Its IUPAC name is 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID56708629
Molecular FormulaC19H28N6
Molecular Weight340.48 g/mol
Exact Mass340.24
IUPAC Name3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(C2CCC3(CCNCC3)CC2)CC1
InChIInChI=1S/C19H28N6/c20-15-17-18(23-10-9-22-17)25-13-11-24(12-14-25)16-1-3-19(4-2-16)5-7-21-8-6-19/h9-10,16,21H,1-8,11-14H2
InChIKeyOOBIBMNMRWWLFI-UHFFFAOYSA-N
XLogP1.78
TPSA68.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(3S)-pyrrolidin-3-yl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 91406817
3-(1,4-diazepan-1-yl)pyrazine-2-carbonitrile
CID 18526471
3-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 68648376
3-(3-azaspiro[5.5]undecan-9-yl)-3,9-diazaspiro[5.5]undecane
CID 146248908
(6R)-1-(3-azaspiro[5.5]undecan-9-yl)-4-pyrazin-2-yl-1,4-diazepan-6-ol
CID 99973341
3-(4-propan-2-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 59598857
3-[4-(cyclohexylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133284433
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642
3-(3-morpholin-4-ylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 172905390
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
3-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 133396027
3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyrazine-2-carbonitrile
CID 79091673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 56708629) is 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(C2CCC3(CCNCC3)CC2)CC1.
What is the InChIKey of 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is OOBIBMNMRWWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c20-15-17-18(23-10-9-22-17)25-13-11-24(12-14-25)16-1-3-19(4-2-16)5-7-21-8-6-19/h9-10,16,21H,1-8,11-14H2.
What are the key properties of 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 340.48 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 56708629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).