(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione

C13H16N4O2 — CID 95201770

IUPAC(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](c2ccccn2)(C2CCNCC2)N1
InChIInChI=1S/C13H16N4O2/c18-11-13(17-12(19)16-11,9-4-7-14-8-5-9)10-3-1-2-6-15-10/h1-3,6,9,14H,4-5,7-8H2,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyGXGAGRCWOWLKNE-ZDUSSCGKSA-N
MW260.30 g/mol
LogP0.12
Rot. Bonds2

About (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 95201770) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID95201770
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](c2ccccn2)(C2CCNCC2)N1
InChIInChI=1S/C13H16N4O2/c18-11-13(17-12(19)16-11,9-4-7-14-8-5-9)10-3-1-2-6-15-10/h1-3,6,9,14H,4-5,7-8H2,(H2,16,17,18,19)/t13-/m0/s1
InChIKeyGXGAGRCWOWLKNE-ZDUSSCGKSA-N
XLogP0.12
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 95201770) is (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(=O)[C@@](c2ccccn2)(C2CCNCC2)N1.
What is the InChIKey of (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is GXGAGRCWOWLKNE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-11-13(17-12(19)16-11,9-4-7-14-8-5-9)10-3-1-2-6-15-10/h1-3,6,9,14H,4-5,7-8H2,(H2,16,17,18,19)/t13-/m0/s1.
What are the key properties of (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 260.30 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95201770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).