5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

C25H28F2N4O3 — CID 45180616

IUPAC5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccn2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)C(=O)N1CC1CCCO1
InChIInChI=1S/C25H28F2N4O3/c26-19-12-17(13-20(27)14-19)15-30-9-6-18(7-10-30)25(22-5-1-2-8-28-22)23(32)31(24(33)29-25)16-21-4-3-11-34-21/h1-2,5,8,12-14,18,21H,3-4,6-7,9-11,15-16H2,(H,29,33)
InChIKeyZMFAVTRFWDUGBU-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.20
Rot. Bonds6

About 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione

5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 45180616) has the molecular formula C25H28F2N4O3 and a molecular weight of 470.52 g/mol. Its IUPAC name is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID45180616
Molecular FormulaC25H28F2N4O3
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2ccccn2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)C(=O)N1CC1CCCO1
InChIInChI=1S/C25H28F2N4O3/c26-19-12-17(13-20(27)14-19)15-30-9-6-18(7-10-30)25(22-5-1-2-8-28-22)23(32)31(24(33)29-25)16-21-4-3-11-34-21/h1-2,5,8,12-14,18,21H,3-4,6-7,9-11,15-16H2,(H,29,33)
InChIKeyZMFAVTRFWDUGBU-UHFFFAOYSA-N
XLogP3.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-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

(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45196944
(5R)-5-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340619
(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42397859
(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42438417
(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42462024
(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42432477
5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45166233
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
5-[1-[2-(2,3-difluorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45230238
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45233140
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351019

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione (CID 45180616) is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1NC(c2ccccn2)(C2CCN(Cc3cc(F)cc(F)c3)CC2)C(=O)N1CC1CCCO1.
What is the InChIKey of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is ZMFAVTRFWDUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O3/c26-19-12-17(13-20(27)14-19)15-30-9-6-18(7-10-30)25(22-5-1-2-8-28-22)23(32)31(24(33)29-25)16-21-4-3-11-34-21/h1-2,5,8,12-14,18,21H,3-4,6-7,9-11,15-16H2,(H,29,33).
What are the key properties of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 470.52 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 45180616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).