4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

C15H22N4O — CID 2984736

IUPAC4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESN#CC1C(=O)NC(N2CCCCC2)=NC12CCCCC2
InChIInChI=1S/C15H22N4O/c16-11-12-13(20)17-14(19-9-5-2-6-10-19)18-15(12)7-3-1-4-8-15/h12H,1-10H2,(H,17,18,20)
InChIKeyYELZIQHPXZWIRM-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.80
Rot. Bonds

About 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (PubChem CID 2984736) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.

Molecular Properties

Compound Name4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
PubChem CID2984736
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESN#CC1C(=O)NC(N2CCCCC2)=NC12CCCCC2
InChIInChI=1S/C15H22N4O/c16-11-12-13(20)17-14(19-9-5-2-6-10-19)18-15(12)7-3-1-4-8-15/h12H,1-10H2,(H,17,18,20)
InChIKeyYELZIQHPXZWIRM-UHFFFAOYSA-N
XLogP1.80
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The IUPAC name of 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (CID 2984736) is 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
What is the SMILES notation for 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The canonical SMILES for 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is N#CC1C(=O)NC(N2CCCCC2)=NC12CCCCC2.
What is the InChIKey of 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The InChIKey is YELZIQHPXZWIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-11-12-13(20)17-14(19-9-5-2-6-10-19)18-15(12)7-3-1-4-8-15/h12H,1-10H2,(H,17,18,20).
What are the key properties of 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile has a molecular weight of 274.37 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-piperidin-1-yl-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is sourced from PubChem (CID 2984736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).