1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium

C10H13N2OY- — CID 155572146

IUPAC1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium
SMILESO=c1c[c-]ccn1C1CCNCC1.[Y]
InChIInChI=1S/C10H13N2O.Y/c13-10-3-1-2-8-12(10)9-4-6-11-7-5-9;/h2-3,8-9,11H,4-7H2;/q-1;
InChIKeyVHISQKIRCXNWFN-UHFFFAOYSA-N
MW266.13 g/mol
LogP0.57
Rot. Bonds1

About 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium

1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium (PubChem CID 155572146) has the molecular formula C10H13N2OY- and a molecular weight of 266.13 g/mol. Its IUPAC name is 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium.

Molecular Properties

Compound Name1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium
PubChem CID155572146
Molecular FormulaC10H13N2OY-
Molecular Weight266.13 g/mol
Exact Mass266.01
IUPAC Name1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium
SMILESO=c1c[c-]ccn1C1CCNCC1.[Y]
InChIInChI=1S/C10H13N2O.Y/c13-10-3-1-2-8-12(10)9-4-6-11-7-5-9;/h2-3,8-9,11H,4-7H2;/q-1;
InChIKeyVHISQKIRCXNWFN-UHFFFAOYSA-N
XLogP0.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(piperidin-3-ylmethyl)pyridin-2(1H)-one
CID 44410533
1-(3-Piperidin-2-ylpropyl)pyridin-2-one
CID 44535154
1-(Piperidin-4-yl)-1,2-dihydropyridin-2-one dihydrochloride
CID 138991841
1-(Piperidin-4-yl)pyridin-2(1h)-one
CID 68690104
3-Amino-5-fluoro-1-piperidin-4-ylpyridin-2-one
CID 137450147
2-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]-N-piperidin-4-ylacetamide
CID 156283549
1-Methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60932164
1-Ethyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60944170
5-Fluoro-1-piperidin-4-ylpyridin-2-one
CID 82146986
5-Fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
1-[2-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethyl]pyridin-2-one
CID 82899717
4-Amino-1-(1-(2,2,2-trifluoroacetyl)piperidin-4-yl)pyridin-2(1H)-one
CID 129319208

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium?
The IUPAC name of 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium (CID 155572146) is 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium.
What is the SMILES notation for 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium?
The canonical SMILES for 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium is O=c1c[c-]ccn1C1CCNCC1.[Y].
What is the InChIKey of 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium?
The InChIKey is VHISQKIRCXNWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2O.Y/c13-10-3-1-2-8-12(10)9-4-6-11-7-5-9;/h2-3,8-9,11H,4-7H2;/q-1;.
What are the key properties of 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium?
1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium has a molecular weight of 266.13 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4H-pyridin-4-id-2-one;yttrium is sourced from PubChem (CID 155572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).