2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile

C22H28N4O2 — CID 11176459

IUPAC2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2
InChIKeyFIKCUNQQOIUGKX-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.39
Rot. Bonds4

About 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile

2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile (PubChem CID 11176459) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile
PubChem CID11176459
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile
SMILESN#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2
InChIKeyFIKCUNQQOIUGKX-UHFFFAOYSA-N
XLogP2.39
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile (CID 11176459) is 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile is N#Cc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile?
The InChIKey is FIKCUNQQOIUGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c23-17-18-5-1-2-6-19(18)25-12-9-24(10-13-25)11-14-26-20(27)15-22(16-21(26)28)7-3-4-8-22/h1-2,5-6H,3-4,7-16H2.
What are the key properties of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile?
2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile has a molecular weight of 380.49 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 11176459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).