3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C19H25N3O3 — CID 7266408

IUPAC3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H25N3O3/c1-19(2)17(24)22(18(25)20-19)13-16(23)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,25)
InChIKeyUFELJASGQNXAKA-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.80
Rot. Bonds4

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

3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 7266408) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID7266408
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C19H25N3O3/c1-19(2)17(24)22(18(25)20-19)13-16(23)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,25)
InChIKeyUFELJASGQNXAKA-UHFFFAOYSA-N
XLogP1.80
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 7266408) is 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is UFELJASGQNXAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2)17(24)22(18(25)20-19)13-16(23)21-10-8-15(9-11-21)12-14-6-4-3-5-7-14/h3-7,15H,8-13H2,1-2H3,(H,20,25).
What are the key properties of 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 343.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 7266408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).