1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

C25H31FN4O2 — CID 56595711

IUPAC1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCC(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H31FN4O2/c1-18(2)13-30-24(31)17-29(25(30)32)14-19-8-10-20(11-9-19)23-7-3-6-22(27-23)16-28-12-4-5-21(26)15-28/h3,6-11,18,21H,4-5,12-17H2,1-2H3
InChIKeyPJQIWZIEDVJZJS-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.10
Rot. Bonds7

About 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione

1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 56595711) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID56595711
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCC(F)C4)n3)cc2)C1=O
InChIInChI=1S/C25H31FN4O2/c1-18(2)13-30-24(31)17-29(25(30)32)14-19-8-10-20(11-9-19)23-7-3-6-22(27-23)16-28-12-4-5-21(26)15-28/h3,6-11,18,21H,4-5,12-17H2,1-2H3
InChIKeyPJQIWZIEDVJZJS-UHFFFAOYSA-N
XLogP4.10
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.10
H-Bond Donors ≤ 50
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 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione (CID 56595711) is 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)CN1C(=O)CN(Cc2ccc(-c3cccc(CN4CCCC(F)C4)n3)cc2)C1=O.
What is the InChIKey of 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is PJQIWZIEDVJZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-18(2)13-30-24(31)17-29(25(30)32)14-19-8-10-20(11-9-19)23-7-3-6-22(27-23)16-28-12-4-5-21(26)15-28/h3,6-11,18,21H,4-5,12-17H2,1-2H3.
What are the key properties of 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione?
1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 438.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[6-[(3-fluoropiperidin-1-yl)methyl]-2-pyridinyl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 56595711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).