5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

C27H39FN4O3 — CID 118756982

About 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione

5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 118756982) has the molecular formula C27H39FN4O3 and a molecular weight of 486.63 g/mol. Its IUPAC name is 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
• PubChem CID: 118756982
• Molecular Formula: C27H39FN4O3
• Molecular Weight: 486.63 g/mol
• Exact Mass: 486.30
• IUPAC Name: 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
• SMILES: CN(C)CCCN1C(=O)NC(Cc2cccc(F)c2)(C2CCN(C(=O)CC3CCCC3)CC2)C1=O
• InChI: InChI=1S/C27H39FN4O3/c1-30(2)13-6-14-32-25(34)27(29-26(32)35,19-21-9-5-10-23(28)17-21)22-11-15-31(16-12-22)24(33)18-20-7-3-4-8-20/h5,9-10,17,20,22H,3-4,6-8,11-16,18-19H2,1-2H3,(H,29,35)
• InChIKey: YXQFERUAPGPJPJ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.63
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione (CID 118756982) is 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is CN(C)CCCN1C(=O)NC(Cc2cccc(F)c2)(C2CCN(C(=O)CC3CCCC3)CC2)C1=O.

What is the InChIKey of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?

The InChIKey is YXQFERUAPGPJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39FN4O3/c1-30(2)13-6-14-32-25(34)27(29-26(32)35,19-21-9-5-10-23(28)17-21)22-11-15-31(16-12-22)24(33)18-20-7-3-4-8-20/h5,9-10,17,20,22H,3-4,6-8,11-16,18-19H2,1-2H3,(H,29,35).

What are the key properties of 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione?

5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 486.63 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 118756982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).