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

C16H23N3O2S — CID 97090041

IUPAC(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3cccs3)C2)C1=O
InChIInChI=1S/C16H23N3O2S/c1-16(14(20)18(2)15(21)17-16)12-5-3-8-19(11-12)9-7-13-6-4-10-22-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1
InChIKeySFKQYWVWCCSJEV-MLGOLLRUSA-N
MW321.45 g/mol
LogP1.94
Rot. Bonds4

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

(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97090041) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97090041
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3cccs3)C2)C1=O
InChIInChI=1S/C16H23N3O2S/c1-16(14(20)18(2)15(21)17-16)12-5-3-8-19(11-12)9-7-13-6-4-10-22-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1
InChIKeySFKQYWVWCCSJEV-MLGOLLRUSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-methyl-5-[(3S)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 95780872
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 129462010
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
N-propan-2-yl-1-(2-thiophen-2-ylethyl)piperidin-3-amine
CID 63776852
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64882835
3-cyclohexyl-1-(2-thiophen-2-ylethyl)piperazine
CID 64833084
3-phenyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane
CID 64859407

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 97090041) is (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is CN1C(=O)N[C@](C)([C@@H]2CCCN(CCc3cccs3)C2)C1=O.
What is the InChIKey of (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is SFKQYWVWCCSJEV-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-16(14(20)18(2)15(21)17-16)12-5-3-8-19(11-12)9-7-13-6-4-10-22-13/h4,6,10,12H,3,5,7-9,11H2,1-2H3,(H,17,21)/t12-,16-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 321.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97090041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).