5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione

C23H30FN5O2 — CID 126462116

IUPAC5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)c(C)n1
InChIInChI=1S/C23H30FN5O2/c1-4-28-15-18(16(2)26-28)14-27-11-9-19(10-12-27)23(3)21(30)29(22(31)25-23)13-17-5-7-20(24)8-6-17/h5-8,15,19H,4,9-14H2,1-3H3,(H,25,31)
InChIKeyFELCMWMXBYJHMS-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.07
Rot. Bonds6

About 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione

5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 126462116) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
PubChem CID126462116
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC Name5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione
SMILESCCn1cc(CN2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)c(C)n1
InChIInChI=1S/C23H30FN5O2/c1-4-28-15-18(16(2)26-28)14-27-11-9-19(10-12-27)23(3)21(30)29(22(31)25-23)13-17-5-7-20(24)8-6-17/h5-8,15,19H,4,9-14H2,1-3H3,(H,25,31)
InChIKeyFELCMWMXBYJHMS-UHFFFAOYSA-N
XLogP3.07
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione (CID 126462116) is 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione is CCn1cc(CN2CCC(C3(C)NC(=O)N(Cc4ccc(F)cc4)C3=O)CC2)c(C)n1.
What is the InChIKey of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FELCMWMXBYJHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-4-28-15-18(16(2)26-28)14-27-11-9-19(10-12-27)23(3)21(30)29(22(31)25-23)13-17-5-7-20(24)8-6-17/h5-8,15,19H,4,9-14H2,1-3H3,(H,25,31).
What are the key properties of 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione?
5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 427.52 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 126462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).