1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile

C14H16N4O — CID 166385641

IUPAC1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cccc(N3CCNC(=O)C3)n2)CCC1
InChIInChI=1S/C14H16N4O/c15-10-14(5-2-6-14)11-3-1-4-12(17-11)18-8-7-16-13(19)9-18/h1,3-4H,2,5-9H2,(H,16,19)
InChIKeyBDBTUNBPAHWQFX-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.96
Rot. Bonds2

About 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile

1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile (PubChem CID 166385641) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile
PubChem CID166385641
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile
SMILESN#CC1(c2cccc(N3CCNC(=O)C3)n2)CCC1
InChIInChI=1S/C14H16N4O/c15-10-14(5-2-6-14)11-3-1-4-12(17-11)18-8-7-16-13(19)9-18/h1,3-4H,2,5-9H2,(H,16,19)
InChIKeyBDBTUNBPAHWQFX-UHFFFAOYSA-N
XLogP0.96
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile (CID 166385641) is 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile is N#CC1(c2cccc(N3CCNC(=O)C3)n2)CCC1.
What is the InChIKey of 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile?
The InChIKey is BDBTUNBPAHWQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-10-14(5-2-6-14)11-3-1-4-12(17-11)18-8-7-16-13(19)9-18/h1,3-4H,2,5-9H2,(H,16,19).
What are the key properties of 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile?
1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-oxopiperazin-1-yl)-2-pyridinyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 166385641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).