1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile

C12H20N4O — CID 79086610

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c13-8-11-9-14-4-7-16(11)10-12(17)15-5-2-1-3-6-15/h11,14H,1-7,9-10H2
InChIKeyPDQLSGLJNFCLAN-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.20
Rot. Bonds2

About 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile

1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile (PubChem CID 79086610) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
PubChem CID79086610
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1CC(=O)N1CCCCC1
InChIInChI=1S/C12H20N4O/c13-8-11-9-14-4-7-16(11)10-12(17)15-5-2-1-3-6-15/h11,14H,1-7,9-10H2
InChIKeyPDQLSGLJNFCLAN-UHFFFAOYSA-N
XLogP-0.20
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile (CID 79086610) is 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile is N#CC1CNCCN1CC(=O)N1CCCCC1.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile?
The InChIKey is PDQLSGLJNFCLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c13-8-11-9-14-4-7-16(11)10-12(17)15-5-2-1-3-6-15/h11,14H,1-7,9-10H2.
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile?
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile has a molecular weight of 236.32 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).