2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile

C20H23N5O — CID 57440114

IUPAC2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
SMILESN#CCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c21-10-17-26-23-19(18-6-2-1-3-7-18)9-12-24-13-15-25(16-14-24)20-8-4-5-11-22-20/h1-8,11H,9,12-17H2/b23-19-
InChIKeyLWLGSWADZDNDOB-NMWGTECJSA-N
MW349.44 g/mol
LogP2.54
Rot. Bonds7

About 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile

2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile (PubChem CID 57440114) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile.

Molecular Properties

Compound Name2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
PubChem CID57440114
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
SMILESN#CCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N5O/c21-10-17-26-23-19(18-6-2-1-3-7-18)9-12-24-13-15-25(16-14-24)20-8-4-5-11-22-20/h1-8,11H,9,12-17H2/b23-19-
InChIKeyLWLGSWADZDNDOB-NMWGTECJSA-N
XLogP2.54
TPSA64.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 11849229
2-[[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 73125422
(E)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11221906
(Z)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11416883
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 72966378
(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine
CID 57440145
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691
2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethoxy]benzonitrile
CID 175765241
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
CID 11849818
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile?
The IUPAC name of 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile (CID 57440114) is 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile.
What is the SMILES notation for 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile?
The canonical SMILES for 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile is N#CCO/N=C(/CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile?
The InChIKey is LWLGSWADZDNDOB-NMWGTECJSA-N. The full InChI is InChI=1S/C20H23N5O/c21-10-17-26-23-19(18-6-2-1-3-7-18)9-12-24-13-15-25(16-14-24)20-8-4-5-11-22-20/h1-8,11H,9,12-17H2/b23-19-.
What are the key properties of 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile?
2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile has a molecular weight of 349.44 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile is sourced from PubChem (CID 57440114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).