(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C26H26N4O4S — CID 42438189

IUPAC(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C26H26N4O4S/c1-34-22-6-4-19(5-7-22)23(31)29-12-8-20(9-13-29)26(21-3-2-11-27-15-21)24(32)30(25(33)28-26)16-18-10-14-35-17-18/h2-7,10-11,14-15,17,20H,8-9,12-13,16H2,1H3,(H,28,33)/t26-/m0/s1
InChIKeyOQERGQOFMURVKH-SANMLTNESA-N
MW490.59 g/mol
LogP3.65
Rot. Bonds6

About (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42438189) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID42438189
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCOc1ccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C26H26N4O4S/c1-34-22-6-4-19(5-7-22)23(31)29-12-8-20(9-13-29)26(21-3-2-11-27-15-21)24(32)30(25(33)28-26)16-18-10-14-35-17-18/h2-7,10-11,14-15,17,20H,8-9,12-13,16H2,1H3,(H,28,33)/t26-/m0/s1
InChIKeyOQERGQOFMURVKH-SANMLTNESA-N
XLogP3.65
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)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-(3,5-difluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45177279
(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42435547
(5S)-5-[1-(5-ethyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42367924
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45218943
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
(5S)-5-[1-(3-methylbenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25292974
5-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 45170309
(5S)-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26363027
3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
3-benzyl-8-(4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16812524
5-pyridin-3-yl-5-[1-[2-(1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45172801
(5S)-5-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25294251

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 42438189) is (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is COc1ccc(C(=O)N2CCC([C@@]3(c4cccnc4)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1.
What is the InChIKey of (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is OQERGQOFMURVKH-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-34-22-6-4-19(5-7-22)23(31)29-12-8-20(9-13-29)26(21-3-2-11-27-15-21)24(32)30(25(33)28-26)16-18-10-14-35-17-18/h2-7,10-11,14-15,17,20H,8-9,12-13,16H2,1H3,(H,28,33)/t26-/m0/s1.
What are the key properties of (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 490.59 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42438189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).