3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile

C11H16N4O — CID 11218288

IUPAC3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCC1CC(C#N)=C(N2CCNCC2)NC1=O
InChIInChI=1S/C11H16N4O/c1-8-6-9(7-12)10(14-11(8)16)15-4-2-13-3-5-15/h8,13H,2-6H2,1H3,(H,14,16)
InChIKeySDPHEJPBOYTRGO-UHFFFAOYSA-N
MW220.28 g/mol
LogP-0.22
Rot. Bonds1

About 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile

3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 11218288) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID11218288
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCC1CC(C#N)=C(N2CCNCC2)NC1=O
InChIInChI=1S/C11H16N4O/c1-8-6-9(7-12)10(14-11(8)16)15-4-2-13-3-5-15/h8,13H,2-6H2,1H3,(H,14,16)
InChIKeySDPHEJPBOYTRGO-UHFFFAOYSA-N
XLogP-0.22
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 11218288) is 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile is CC1CC(C#N)=C(N2CCNCC2)NC1=O.
What is the InChIKey of 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is SDPHEJPBOYTRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-6-9(7-12)10(14-11(8)16)15-4-2-13-3-5-15/h8,13H,2-6H2,1H3,(H,14,16).
What are the key properties of 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile?
3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 220.28 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-6-piperazin-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 11218288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).