2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile

C20H26N4O2 — CID 118947106

IUPAC2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CCC3CC4(CCCC4)C(=O)O3)CC2)c1
InChIInChI=1S/C20H26N4O2/c21-15-16-3-7-22-18(13-16)24-11-9-23(10-12-24)8-4-17-14-20(19(25)26-17)5-1-2-6-20/h3,7,13,17H,1-2,4-6,8-12,14H2
InChIKeySZDPQAIBNPVACI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.34
Rot. Bonds4

About 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 118947106) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID118947106
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCN(CCC3CC4(CCCC4)C(=O)O3)CC2)c1
InChIInChI=1S/C20H26N4O2/c21-15-16-3-7-22-18(13-16)24-11-9-23(10-12-24)8-4-17-14-20(19(25)26-17)5-1-2-6-20/h3,7,13,17H,1-2,4-6,8-12,14H2
InChIKeySZDPQAIBNPVACI-UHFFFAOYSA-N
XLogP2.34
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 118947106) is 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCN(CCC3CC4(CCCC4)C(=O)O3)CC2)c1.
What is the InChIKey of 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is SZDPQAIBNPVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c21-15-16-3-7-22-18(13-16)24-11-9-23(10-12-24)8-4-17-14-20(19(25)26-17)5-1-2-6-20/h3,7,13,17H,1-2,4-6,8-12,14H2.
What are the key properties of 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 354.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-oxo-2-oxaspiro[4.4]nonan-3-yl)ethyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 118947106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).