3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

C20H21FN4O2 — CID 118759898

IUPAC3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccnc2)(C2CCNCC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-17-5-3-14(4-6-17)13-25-18(26)20(24-19(25)27,15-7-10-22-11-8-15)16-2-1-9-23-12-16/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,24,27)
InChIKeyBDJSFSXKPSYJIC-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.17
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione

3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 118759898) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID118759898
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESO=C1NC(c2cccnc2)(C2CCNCC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c21-17-5-3-14(4-6-17)13-25-18(26)20(24-19(25)27,15-7-10-22-11-8-15)16-2-1-9-23-12-16/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,24,27)
InChIKeyBDJSFSXKPSYJIC-UHFFFAOYSA-N
XLogP2.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-(2,2-difluoroethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95200931
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95196915
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45218943
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
(5R)-3-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 95217052
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-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42435547
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
5-piperidin-4-yl-5-pyridin-2-yl-3-(pyrimidin-2-ylmethyl)imidazolidine-2,4-dione
CID 56717771
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42438189
5-[(4-fluorophenyl)methyl]-3-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56723377

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione (CID 118759898) is 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is O=C1NC(c2cccnc2)(C2CCNCC2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is BDJSFSXKPSYJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-17-5-3-14(4-6-17)13-25-18(26)20(24-19(25)27,15-7-10-22-11-8-15)16-2-1-9-23-12-16/h1-6,9,12,15,22H,7-8,10-11,13H2,(H,24,27).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione?
3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 368.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 118759898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).