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

C18H23N3O4 — CID 56740962

IUPAC3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(25)7-8-20(11-14(18)9-13-5-3-2-4-6-13)16(23)12-21-15(22)10-19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,24)/t14-,18+/m0/s1
InChIKeyVURGZWGBBGBKNE-KBXCAEBGSA-N
MW345.40 g/mol
LogP0.38
Rot. Bonds4

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

3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 56740962) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID56740962
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESC[C@@]1(O)CCN(C(=O)CN2C(=O)CNC2=O)C[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H23N3O4/c1-18(25)7-8-20(11-14(18)9-13-5-3-2-4-6-13)16(23)12-21-15(22)10-19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,24)/t14-,18+/m0/s1
InChIKeyVURGZWGBBGBKNE-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 56740962) is 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[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)CN2C(=O)CNC2=O)C[C@@H]1Cc1ccccc1.
What is the InChIKey of 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is VURGZWGBBGBKNE-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(25)7-8-20(11-14(18)9-13-5-3-2-4-6-13)16(23)12-21-15(22)10-19-17(21)24/h2-6,14,25H,7-12H2,1H3,(H,19,24)/t14-,18+/m0/s1.
What are the key properties of 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[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 3-[2-[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56740962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).