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

C25H32N4O3S — CID 45239892

IUPAC5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CCc3cccs3)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C25H32N4O3S/c1-2-13-25(23(31)29(24(32)27-25)17-12-20-6-3-4-14-26-20)19-10-15-28(16-11-19)22(30)9-8-21-7-5-18-33-21/h3-7,14,18-19H,2,8-13,15-17H2,1H3,(H,27,32)
InChIKeyVOXLAWQSLGQIPH-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.65
Rot. Bonds9

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

5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45239892) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45239892
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CCc3cccs3)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C25H32N4O3S/c1-2-13-25(23(31)29(24(32)27-25)17-12-20-6-3-4-14-26-20)19-10-15-28(16-11-19)22(30)9-8-21-7-5-18-33-21/h3-7,14,18-19H,2,8-13,15-17H2,1H3,(H,27,32)
InChIKeyVOXLAWQSLGQIPH-UHFFFAOYSA-N
XLogP3.65
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45250014
5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45169162
5-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 118754184
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
(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-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45168439
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26278568
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42373156
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45206964
(5R)-5-[1-[(2S)-1-methylpiperidine-2-carbonyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 98570664
(5R)-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[1-(3-phenylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42373238

Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45239892) is 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)CCc3cccs3)CC2)NC(=O)N(CCc2ccccn2)C1=O.
What is the InChIKey of 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is VOXLAWQSLGQIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-2-13-25(23(31)29(24(32)27-25)17-12-20-6-3-4-14-26-20)19-10-15-28(16-11-19)22(30)9-8-21-7-5-18-33-21/h3-7,14,18-19H,2,8-13,15-17H2,1H3,(H,27,32).
What are the key properties of 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 468.62 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45239892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).