argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten

C24H45ArN3O3W2-2 — CID 160532106

IUPACargon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten
SMILESCC(=O)CC1CCNCC1.CC(=O)CC1CC[N-]CC1.CC(=O)CC1CC[N-]CC1.[Ar].[H][H].[W].[W]
InChIInChI=1S/C8H15NO.2C8H14NO.Ar.2W.H2/c3*1-7(10)6-8-2-4-9-5-3-8;;;;/h8-9H,2-6H2,1H3;2*8H,2-6H2,1H3;;;;1H/q;2*-1;;;;
InChIKeyAJKXAPMPGDUSLY-UHFFFAOYSA-N
MW831.27 g/mol
LogP4.70
Rot. Bonds6

About argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten

argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten (PubChem CID 160532106) has the molecular formula C24H45ArN3O3W2-2 and a molecular weight of 831.27 g/mol. Its IUPAC name is argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten.

Molecular Properties

Compound Nameargon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten
PubChem CID160532106
Molecular FormulaC24H45ArN3O3W2-2
Molecular Weight831.27 g/mol
Exact Mass831.21
IUPAC Nameargon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten
SMILESCC(=O)CC1CCNCC1.CC(=O)CC1CC[N-]CC1.CC(=O)CC1CC[N-]CC1.[Ar].[H][H].[W].[W]
InChIInChI=1S/C8H15NO.2C8H14NO.Ar.2W.H2/c3*1-7(10)6-8-2-4-9-5-3-8;;;;/h8-9H,2-6H2,1H3;2*8H,2-6H2,1H3;;;;1H/q;2*-1;;;;
InChIKeyAJKXAPMPGDUSLY-UHFFFAOYSA-N
XLogP4.70
TPSA91.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500831.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten?
The IUPAC name of argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten (CID 160532106) is argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten.
What is the SMILES notation for argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten?
The canonical SMILES for argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten is CC(=O)CC1CCNCC1.CC(=O)CC1CC[N-]CC1.CC(=O)CC1CC[N-]CC1.[Ar].[H][H].[W].[W].
What is the InChIKey of argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten?
The InChIKey is AJKXAPMPGDUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.2C8H14NO.Ar.2W.H2/c3*1-7(10)6-8-2-4-9-5-3-8;;;;/h8-9H,2-6H2,1H3;2*8H,2-6H2,1H3;;;;1H/q;2*-1;;;;.
What are the key properties of argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten?
argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten has a molecular weight of 831.27 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;molecular hydrogen;bis(1-piperidin-1-id-4-ylpropan-2-one);1-piperidin-4-ylpropan-2-one;tungsten is sourced from PubChem (CID 160532106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).