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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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).