2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile

C17H16N4O — CID 2812127

IUPAC2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16N4O/c18-13-15-7-4-8-19-16(15)20-9-11-21(12-10-20)17(22)14-5-2-1-3-6-14/h1-8H,9-12H2
InChIKeyQEQDAOXKRVYQHM-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.92
Rot. Bonds2

About 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile

2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 2812127) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID2812127
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C17H16N4O/c18-13-15-7-4-8-19-16(15)20-9-11-21(12-10-20)17(22)14-5-2-1-3-6-14/h1-8H,9-12H2
InChIKeyQEQDAOXKRVYQHM-UHFFFAOYSA-N
XLogP1.92
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile (CID 2812127) is 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is QEQDAOXKRVYQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c18-13-15-7-4-8-19-16(15)20-9-11-21(12-10-20)17(22)14-5-2-1-3-6-14/h1-8H,9-12H2.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile?
2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 2812127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).