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

C24H28N4O3S — CID 42435547

IUPAC(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C(C1CCCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1
InChIInChI=1S/C24H28N4O3S/c29-21(18-4-1-2-5-18)27-11-7-19(8-12-27)24(20-6-3-10-25-14-20)22(30)28(23(31)26-24)15-17-9-13-32-16-17/h3,6,9-10,13-14,16,18-19H,1-2,4-5,7-8,11-12,15H2,(H,26,31)/t24-/m0/s1
InChIKeyUBXOZFNEPARRON-DEOSSOPVSA-N
MW452.58 g/mol
LogP3.52
Rot. Bonds5

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

(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 42435547) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID42435547
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C(C1CCCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1
InChIInChI=1S/C24H28N4O3S/c29-21(18-4-1-2-5-18)27-11-7-19(8-12-27)24(20-6-3-10-25-14-20)22(30)28(23(31)26-24)15-17-9-13-32-16-17/h3,6,9-10,13-14,16,18-19H,1-2,4-5,7-8,11-12,15H2,(H,26,31)/t24-/m0/s1
InChIKeyUBXOZFNEPARRON-DEOSSOPVSA-N
XLogP3.52
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(4-methoxybenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42438189
(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)-5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42372755
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 42467317
3-[(4-fluorophenyl)methyl]-5-piperidin-4-yl-5-pyridin-3-ylimidazolidine-2,4-dione
CID 118759898
(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42479904
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
5-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45237926
(5S)-5-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25294251
(5S)-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-pyridin-3-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277490

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 42435547) is (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is O=C(C1CCCC1)N1CCC([C@@]2(c3cccnc3)NC(=O)N(Cc3ccsc3)C2=O)CC1.
What is the InChIKey of (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is UBXOZFNEPARRON-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N4O3S/c29-21(18-4-1-2-5-18)27-11-7-19(8-12-27)24(20-6-3-10-25-14-20)22(30)28(23(31)26-24)15-17-9-13-32-16-17/h3,6,9-10,13-14,16,18-19H,1-2,4-5,7-8,11-12,15H2,(H,26,31)/t24-/m0/s1.
What are the key properties of (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 452.58 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-pyridin-3-yl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42435547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).