[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten

C24H23N4O2W- — CID 155745678

IUPAC[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
SMILES[NH-]c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccccc3)C2=O)cc1.[W]
InChIInChI=1S/C24H23N4O2.W/c25-21-10-5-4-9-20(21)17-12-14-19(15-13-17)28-16-6-11-22(23(28)29)27-24(30)26-18-7-2-1-3-8-18;/h1-5,7-10,12-15,22,25H,6,11,16H2,(H2,26,27,30);/q-1;
InChIKeyWCWSTHZVXFDTNA-UHFFFAOYSA-N
MW583.31 g/mol
LogP5.35
Rot. Bonds4

About [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten

[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten (PubChem CID 155745678) has the molecular formula C24H23N4O2W- and a molecular weight of 583.31 g/mol. Its IUPAC name is [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten.

Molecular Properties

Compound Name[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
PubChem CID155745678
Molecular FormulaC24H23N4O2W-
Molecular Weight583.31 g/mol
Exact Mass583.13
IUPAC Name[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten
SMILES[NH-]c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccccc3)C2=O)cc1.[W]
InChIInChI=1S/C24H23N4O2.W/c25-21-10-5-4-9-20(21)17-12-14-19(15-13-17)28-16-6-11-22(23(28)29)27-24(30)26-18-7-2-1-3-8-18;/h1-5,7-10,12-15,22,25H,6,11,16H2,(H2,26,27,30);/q-1;
InChIKeyWCWSTHZVXFDTNA-UHFFFAOYSA-N
XLogP5.35
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.31
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten?
The IUPAC name of [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten (CID 155745678) is [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten.
What is the SMILES notation for [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten?
The canonical SMILES for [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten is [NH-]c1ccccc1-c1ccc(N2CCCC(NC(=O)Nc3ccccc3)C2=O)cc1.[W].
What is the InChIKey of [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten?
The InChIKey is WCWSTHZVXFDTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N4O2.W/c25-21-10-5-4-9-20(21)17-12-14-19(15-13-17)28-16-6-11-22(23(28)29)27-24(30)26-18-7-2-1-3-8-18;/h1-5,7-10,12-15,22,25H,6,11,16H2,(H2,26,27,30);/q-1;.
What are the key properties of [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten?
[2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten has a molecular weight of 583.31 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-oxo-3-(phenylcarbamoylamino)piperidin-1-yl]phenyl]phenyl]azanide;tungsten is sourced from PubChem (CID 155745678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).