3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C18H23N3O5 — CID 163310062

IUPAC3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)C1=O
InChIInChI=1S/C18H23N3O5/c1-17(2)15(24)21(16(25)19-17)11-14(23)20-9-8-18(26,13(22)10-20)12-6-4-3-5-7-12/h3-7,13,22,26H,8-11H2,1-2H3,(H,19,25)/t13-,18-/m0/s1
InChIKeyHESLGZBYXDBDOL-UGSOOPFHSA-N
MW361.40 g/mol
LogP-0.20
Rot. Bonds3

About 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163310062) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID163310062
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)C1=O
InChIInChI=1S/C18H23N3O5/c1-17(2)15(24)21(16(25)19-17)11-14(23)20-9-8-18(26,13(22)10-20)12-6-4-3-5-7-12/h3-7,13,22,26H,8-11H2,1-2H3,(H,19,25)/t13-,18-/m0/s1
InChIKeyHESLGZBYXDBDOL-UGSOOPFHSA-N
XLogP-0.20
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-[(3R)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124964953
(3S,4S)-3,4-dihydroxy-4-phenylpiperidine-1-carboxylic acid
CID 67332578
3-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79403579
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 3874337
5,5-dimethyl-3-[2-oxo-2-(3-pyrazol-1-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56823353
(5R)-5-tert-butyl-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 7263656
2-(2-chloro-6-fluorophenyl)-1-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]ethanone
CID 162630901
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 72840049
3-[2-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 124977065
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40748676
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99946774

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 163310062) is 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CC[C@](O)(c3ccccc3)[C@@H](O)C2)C1=O.
What is the InChIKey of 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is HESLGZBYXDBDOL-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-17(2)15(24)21(16(25)19-17)11-14(23)20-9-8-18(26,13(22)10-20)12-6-4-3-5-7-12/h3-7,13,22,26H,8-11H2,1-2H3,(H,19,25)/t13-,18-/m0/s1.
What are the key properties of 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S,4S)-3,4-dihydroxy-4-phenylpiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163310062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).