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

C27H28N4O3S — CID 42276807

IUPAC(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1
InChIInChI=1S/C27H28N4O3S/c1-19-7-2-3-9-22(19)24(32)30-15-11-20(12-16-30)27(23-10-4-5-14-28-23)25(33)31(26(34)29-27)17-13-21-8-6-18-35-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyQFZJSINOYQRJDF-HHHXNRCGSA-N
MW488.61 g/mol
LogP3.99
Rot. Bonds6

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

(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 42276807) has the molecular formula C27H28N4O3S and a molecular weight of 488.61 g/mol. Its IUPAC name is (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
PubChem CID42276807
Molecular FormulaC27H28N4O3S
Molecular Weight488.61 g/mol
Exact Mass488.19
IUPAC Name(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1
InChIInChI=1S/C27H28N4O3S/c1-19-7-2-3-9-22(19)24(32)30-15-11-20(12-16-30)27(23-10-4-5-14-28-23)25(33)31(26(34)29-27)17-13-21-8-6-18-35-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,29,34)/t27-/m1/s1
InChIKeyQFZJSINOYQRJDF-HHHXNRCGSA-N
XLogP3.99
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)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-(4-fluorobenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45226771
(5R)-5-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42433066
(5R)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277499
(5R)-5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42472790
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25306030
(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
5-[1-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45247531
(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
(5S)-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277490
3-(oxolan-2-ylmethyl)-5-pyridin-2-yl-5-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45197451
(5S)-5-[1-(3-methylbenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25292974
5-ethyl-5-[1-(2-methylbenzoyl)piperidin-4-yl]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 45165550

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 42276807) is (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is Cc1ccccc1C(=O)N1CCC([C@]2(c3ccccn3)NC(=O)N(CCc3cccs3)C2=O)CC1.
What is the InChIKey of (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is QFZJSINOYQRJDF-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N4O3S/c1-19-7-2-3-9-22(19)24(32)30-15-11-20(12-16-30)27(23-10-4-5-14-28-23)25(33)31(26(34)29-27)17-13-21-8-6-18-35-21/h2-10,14,18,20H,11-13,15-17H2,1H3,(H,29,34)/t27-/m1/s1.
What are the key properties of (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
(5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 488.61 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-(2-methylbenzoyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42276807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).