(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C21H29N3O2 — CID 95209787

IUPAC(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C21H29N3O2/c25-19-21(17-11-14-22-15-12-17,13-10-16-6-2-1-3-7-16)23-20(26)24(19)18-8-4-5-9-18/h1-3,6-7,17-18,22H,4-5,8-15H2,(H,23,26)/t21-/m0/s1
InChIKeyZOYMBTCGPIIZNK-NRFANRHFSA-N
MW355.48 g/mol
LogP2.85
Rot. Bonds5

About (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95209787) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95209787
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1C1CCCC1
InChIInChI=1S/C21H29N3O2/c25-19-21(17-11-14-22-15-12-17,13-10-16-6-2-1-3-7-16)23-20(26)24(19)18-8-4-5-9-18/h1-3,6-7,17-18,22H,4-5,8-15H2,(H,23,26)/t21-/m0/s1
InChIKeyZOYMBTCGPIIZNK-NRFANRHFSA-N
XLogP2.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-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-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220588
(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95229978
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118760432
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
(5R)-5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyridin-3-ylmethyl)imidazolidine-2,4-dione
CID 95221358
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216752
(5R)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216753
5-(2-phenylethyl)-5-piperidin-4-yl-3-(pyrazin-2-ylmethyl)imidazolidine-2,4-dione
CID 56710057
(5R)-3-(3-hydroxypropyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95202564
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
CID 154885329

Frequently Asked Questions

What is the IUPAC name of (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95209787) is (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1N[C@@](CCc2ccccc2)(C2CCNCC2)C(=O)N1C1CCCC1.
What is the InChIKey of (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is ZOYMBTCGPIIZNK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19-21(17-11-14-22-15-12-17,13-10-16-6-2-1-3-7-16)23-20(26)24(19)18-8-4-5-9-18/h1-3,6-7,17-18,22H,4-5,8-15H2,(H,23,26)/t21-/m0/s1.
What are the key properties of (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 355.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95209787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).