1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile

C16H16N4O — CID 11242964

IUPAC1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C16H16N4O/c17-12-16(13-4-2-1-3-5-13)8-10-20(11-9-16)14-6-7-15(21)19-18-14/h1-7H,8-11H2,(H,19,21)
InChIKeyZHKDUZGSUADPAM-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.83
Rot. Bonds2

About 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile

1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile (PubChem CID 11242964) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
PubChem CID11242964
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C16H16N4O/c17-12-16(13-4-2-1-3-5-13)8-10-20(11-9-16)14-6-7-15(21)19-18-14/h1-7H,8-11H2,(H,19,21)
InChIKeyZHKDUZGSUADPAM-UHFFFAOYSA-N
XLogP1.83
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile (CID 11242964) is 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile?
The InChIKey is ZHKDUZGSUADPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-12-16(13-4-2-1-3-5-13)8-10-20(11-9-16)14-6-7-15(21)19-18-14/h1-7H,8-11H2,(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile?
1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-3-yl)-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 11242964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).