5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C25H28F2N4O3 — CID 45168439

IUPAC5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C25H28F2N4O3/c1-2-11-25(23(33)31(24(34)29-25)15-10-19-5-3-4-12-28-19)17-8-13-30(14-9-17)22(32)20-7-6-18(26)16-21(20)27/h3-7,12,16-17H,2,8-11,13-15H2,1H3,(H,29,34)
InChIKeyDKQRJTCBCBREPJ-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.55
Rot. Bonds7

About 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45168439) has the molecular formula C25H28F2N4O3 and a molecular weight of 470.52 g/mol. Its IUPAC name is 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID45168439
Molecular FormulaC25H28F2N4O3
Molecular Weight470.52 g/mol
Exact Mass470.21
IUPAC Name5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C25H28F2N4O3/c1-2-11-25(23(33)31(24(34)29-25)15-10-19-5-3-4-12-28-19)17-8-13-30(14-9-17)22(32)20-7-6-18(26)16-21(20)27/h3-7,12,16-17H,2,8-11,13-15H2,1H3,(H,29,34)
InChIKeyDKQRJTCBCBREPJ-UHFFFAOYSA-N
XLogP3.55
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45206964
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
5-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 118754184
(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 25291890
5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45250014
5-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45247625
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892
5-[1-(2,3-difluorobenzoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 45189875
5-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 56714637
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42465176
5-[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-3-(furan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45168671
(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 26280199

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 45168439) is 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)c3ccc(F)cc3F)CC2)NC(=O)N(CCc2ccccn2)C1=O.
What is the InChIKey of 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is DKQRJTCBCBREPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O3/c1-2-11-25(23(33)31(24(34)29-25)15-10-19-5-3-4-12-28-19)17-8-13-30(14-9-17)22(32)20-7-6-18(26)16-21(20)27/h3-7,12,16-17H,2,8-11,13-15H2,1H3,(H,29,34).
What are the key properties of 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 470.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45168439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).