1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C18H23N3O4 — CID 56903204

IUPAC1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(25)7-8-20(10-14(18)9-13-5-3-2-4-6-13)16(23)12-21-11-15(22)19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,22,24)/t14-,18+/m0/s1
InChIKeySGXYUAJIQNSLMV-KBXCAEBGSA-N
MW345.40 g/mol
LogP0.38
Rot. Bonds4

About 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56903204) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56903204
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(25)7-8-20(10-14(18)9-13-5-3-2-4-6-13)16(23)12-21-11-15(22)19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,22,24)/t14-,18+/m0/s1
InChIKeySGXYUAJIQNSLMV-KBXCAEBGSA-N
XLogP0.38
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266408
1-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2574711
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 2411102
3-[4-(4-Benzylpiperidin-1-yl)butyl]imidazolidine-2,4-dione
CID 10853833
3-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 25161714
3-[5-(4-Benzylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
CID 10545342
3-[3-(4-Benzylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
CID 10567362
(3S*,4R*)-3-benzyl-1-glycyl-4-methyl-4-piperidinol
CID 56891887
2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(3-phenylpropyl)acetamide
CID 2563851
1-{2-[(3S*,4R*)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl}-5-methylpyrimidine-2,4(1H,3H)-dione
CID 56746862
4-ethyl-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]-2,3-dioxopiperazine-1-carboxamide
CID 91631203
1-[(4-Benzylpiperidin-1-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 8144852

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 56903204) is 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@]1(O)CCN(C(=O)CN2CC(=O)NC2=O)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is SGXYUAJIQNSLMV-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(25)7-8-20(10-14(18)9-13-5-3-2-4-6-13)16(23)12-21-11-15(22)19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,22,24)/t14-,18+/m0/s1.
What are the key properties of 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56903204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).