2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

C21H27N5O2 — CID 12840708

IUPAC2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C21H27N5O2/c22-16-17-4-3-7-23-20(17)25-11-8-24(9-12-25)10-13-26-18(27)14-21(15-19(26)28)5-1-2-6-21/h3-4,7H,1-2,5-6,8-15H2
InChIKeyAIQXPNUAFBDSIU-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.78
Rot. Bonds4

About 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 12840708) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID12840708
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C21H27N5O2/c22-16-17-4-3-7-23-20(17)25-11-8-24(9-12-25)10-13-26-18(27)14-21(15-19(26)28)5-1-2-6-21/h3-4,7H,1-2,5-6,8-15H2
InChIKeyAIQXPNUAFBDSIU-UHFFFAOYSA-N
XLogP1.78
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 12840708) is 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(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]pyridine-3-carbonitrile?
The InChIKey is AIQXPNUAFBDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c22-16-17-4-3-7-23-20(17)25-11-8-24(9-12-25)10-13-26-18(27)14-21(15-19(26)28)5-1-2-6-21/h3-4,7H,1-2,5-6,8-15H2.
What are the key properties of 2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 381.48 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]pyridine-3-carbonitrile is sourced from PubChem (CID 12840708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).