3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

C19H19N3O3S — CID 121160270

IUPAC3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C19H19N3O3S/c23-17-11-20-19(25)22(17)16-5-8-21(9-6-16)18(24)14-3-1-13(2-4-14)15-7-10-26-12-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,25)
InChIKeyQVLZJVNGPCDASR-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.57
Rot. Bonds3

About 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 121160270) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID121160270
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C(c1ccc(-c2ccsc2)cc1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C19H19N3O3S/c23-17-11-20-19(25)22(17)16-5-8-21(9-6-16)18(24)14-3-1-13(2-4-14)15-7-10-26-12-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,25)
InChIKeyQVLZJVNGPCDASR-UHFFFAOYSA-N
XLogP2.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-(4-thiophen-3-ylbenzoyl)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

3-[1-(pyridine-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160175
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
(4-pyridin-4-yloxypiperidin-1-yl)-(4-thiophen-3-ylphenyl)methanone
CID 166377495
[4-(benzenesulfonyl)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 71808743
3-[1-(3,4-diethoxybenzoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160382
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 166377497
[3-(3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidin-1-yl]-(4-thiophen-3-ylphenyl)methanone
CID 91814665
(3aS,7aR)-2-[1-(4-thiophen-3-ylbenzoyl)azetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 99989460
3-[1-(naphthalene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159953
3-[1-(naphthalene-1-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 121160397
3-[1-(4-propan-2-yloxybenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159746
3-[1-(3-chlorobenzoyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159925

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 121160270) is 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C(c1ccc(-c2ccsc2)cc1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is QVLZJVNGPCDASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17-11-20-19(25)22(17)16-5-8-21(9-6-16)18(24)14-3-1-13(2-4-14)15-7-10-26-12-15/h1-4,7,10,12,16H,5-6,8-9,11H2,(H,20,25).
What are the key properties of 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 369.45 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-thiophen-3-ylbenzoyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121160270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).