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

C22H29N5O2 — CID 12840706

IUPAC2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H29N5O2/c23-17-18-5-3-8-24-21(18)26-13-11-25(12-14-26)9-4-10-27-19(28)15-22(16-20(27)29)6-1-2-7-22/h3,5,8H,1-2,4,6-7,9-16H2
InChIKeyONOQQKQTKHOVEU-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.17
Rot. Bonds5

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

2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 12840706) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID12840706
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1
InChIInChI=1S/C22H29N5O2/c23-17-18-5-3-8-24-21(18)26-13-11-25(12-14-26)9-4-10-27-19(28)15-22(16-20(27)29)6-1-2-7-22/h3,5,8H,1-2,4,6-7,9-16H2
InChIKeyONOQQKQTKHOVEU-UHFFFAOYSA-N
XLogP2.17
TPSA80.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.17
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-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 12840706) is 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(CCCN2C(=O)CC3(CCCC3)CC2=O)CC1.
What is the InChIKey of 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ONOQQKQTKHOVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c23-17-18-5-3-8-24-21(18)26-13-11-25(12-14-26)9-4-10-27-19(28)15-22(16-20(27)29)6-1-2-7-22/h3,5,8H,1-2,4,6-7,9-16H2.
What are the key properties of 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 395.51 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 12840706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).