5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

C26H34FN3O4 — CID 45209860

IUPAC5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)CC3=CCCCC3)CC2)C1=O
InChIInChI=1S/C26H34FN3O4/c1-34-16-15-30-24(32)26(28-25(30)33,18-20-7-9-22(27)10-8-20)21-11-13-29(14-12-21)23(31)17-19-5-3-2-4-6-19/h5,7-10,21H,2-4,6,11-18H2,1H3,(H,28,33)
InChIKeyUVOIWWDBJZWZDB-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.43
Rot. Bonds8

About 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione

5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (PubChem CID 45209860) has the molecular formula C26H34FN3O4 and a molecular weight of 471.57 g/mol. Its IUPAC name is 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
PubChem CID45209860
Molecular FormulaC26H34FN3O4
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
SMILESCOCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)CC3=CCCCC3)CC2)C1=O
InChIInChI=1S/C26H34FN3O4/c1-34-16-15-30-24(32)26(28-25(30)33,18-20-7-9-22(27)10-8-20)21-11-13-29(14-12-21)23(31)17-19-5-3-2-4-6-19/h5,7-10,21H,2-4,6,11-18H2,1H3,(H,28,33)
InChIKeyUVOIWWDBJZWZDB-UHFFFAOYSA-N
XLogP3.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42317181
(5S)-5-[(4-fluorophenyl)methyl]-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 26329509
5-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45172064
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45183370
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42473051
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45178399
(5S)-5-[(2-chlorophenyl)methyl]-5-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 42468381
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
(5S)-5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42484741
3-(cyclopropylmethyl)-5-[(4-fluorophenyl)methyl]-5-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45179275
5-[(2-chlorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45206652
5-[(2-chlorophenyl)methyl]-5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-3-(2-methoxyethyl)imidazolidine-2,4-dione
CID 45184206

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione (CID 45209860) is 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is COCCN1C(=O)NC(Cc2ccc(F)cc2)(C2CCN(C(=O)CC3=CCCCC3)CC2)C1=O.
What is the InChIKey of 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
The InChIKey is UVOIWWDBJZWZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O4/c1-34-16-15-30-24(32)26(28-25(30)33,18-20-7-9-22(27)10-8-20)21-11-13-29(14-12-21)23(31)17-19-5-3-2-4-6-19/h5,7-10,21H,2-4,6,11-18H2,1H3,(H,28,33).
What are the key properties of 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione?
5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione has a molecular weight of 471.57 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-5-[(4-fluorophenyl)methyl]-3-(2-methoxyethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45209860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).