1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide

C11H23N3O3Pd — CID 173126239

IUPAC1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide
SMILESCN(C)C(=O)C1CCN(C2CNC2)CC1.[OH-].[OH-].[Pd+2]
InChIInChI=1S/C11H21N3O.2H2O.Pd/c1-13(2)11(15)9-3-5-14(6-4-9)10-7-12-8-10;;;/h9-10,12H,3-8H2,1-2H3;2*1H2;/q;;;+2/p-2
InChIKeyFSGYLXRYJCKJKP-UHFFFAOYSA-L
MW351.74 g/mol
LogP-0.60
Rot. Bonds2

About 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide

1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide (PubChem CID 173126239) has the molecular formula C11H23N3O3Pd and a molecular weight of 351.74 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide.

Molecular Properties

Compound Name1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide
PubChem CID173126239
Molecular FormulaC11H23N3O3Pd
Molecular Weight351.74 g/mol
Exact Mass351.08
IUPAC Name1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide
SMILESCN(C)C(=O)C1CCN(C2CNC2)CC1.[OH-].[OH-].[Pd+2]
InChIInChI=1S/C11H21N3O.2H2O.Pd/c1-13(2)11(15)9-3-5-14(6-4-9)10-7-12-8-10;;;/h9-10,12H,3-8H2,1-2H3;2*1H2;/q;;;+2/p-2
InChIKeyFSGYLXRYJCKJKP-UHFFFAOYSA-L
XLogP-0.60
TPSA95.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.74
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide?
The IUPAC name of 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide (CID 173126239) is 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide.
What is the SMILES notation for 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide?
The canonical SMILES for 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide is CN(C)C(=O)C1CCN(C2CNC2)CC1.[OH-].[OH-].[Pd+2].
What is the InChIKey of 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide?
The InChIKey is FSGYLXRYJCKJKP-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H21N3O.2H2O.Pd/c1-13(2)11(15)9-3-5-14(6-4-9)10-7-12-8-10;;;/h9-10,12H,3-8H2,1-2H3;2*1H2;/q;;;+2/p-2.
What are the key properties of 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide?
1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide has a molecular weight of 351.74 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-N,N-dimethylpiperidine-4-carboxamide;palladium(2+);dihydroxide is sourced from PubChem (CID 173126239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).