(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

C15H18F2N4O2 — CID 95200931

IUPAC(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](c2cccnc2)(C2CCNCC2)C(=O)N1CC(F)F
InChIInChI=1S/C15H18F2N4O2/c16-12(17)9-21-13(22)15(20-14(21)23,10-3-6-18-7-4-10)11-2-1-5-19-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H,20,23)/t15-/m1/s1
InChIKeyUQNICMFFDBCXQK-OAHLLOKOSA-N
MW324.33 g/mol
LogP1.09
Rot. Bonds4

About (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 95200931) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID95200931
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](c2cccnc2)(C2CCNCC2)C(=O)N1CC(F)F
InChIInChI=1S/C15H18F2N4O2/c16-12(17)9-21-13(22)15(20-14(21)23,10-3-6-18-7-4-10)11-2-1-5-19-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H,20,23)/t15-/m1/s1
InChIKeyUQNICMFFDBCXQK-OAHLLOKOSA-N
XLogP1.09
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95196915
(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95217052
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45218943
5-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45177279
(5S)-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277490
(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42435547
(5S)-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26363027
3-(2-hydroxyethyl)-5-piperidin-4-yl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 56715453
(5S)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 26279266
(5S)-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42372755

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (CID 95200931) is (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1N[C@@](c2cccnc2)(C2CCNCC2)C(=O)N1CC(F)F.
What is the InChIKey of (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is UQNICMFFDBCXQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c16-12(17)9-21-13(22)15(20-14(21)23,10-3-6-18-7-4-10)11-2-1-5-19-8-11/h1-2,5,8,10,12,18H,3-4,6-7,9H2,(H,20,23)/t15-/m1/s1.
What are the key properties of (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 324.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95200931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).