5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

C22H25N3O3 — CID 42898015

IUPAC5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15-7-5-6-12-24(15)19(26)14-25-20(27)22(2,23-21(25)28)18-11-10-16-8-3-4-9-17(16)13-18/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3,(H,23,28)
InChIKeyZILRURUWXVBDFJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.01
Rot. Bonds3

About 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione

5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 42898015) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID42898015
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15-7-5-6-12-24(15)19(26)14-25-20(27)22(2,23-21(25)28)18-11-10-16-8-3-4-9-17(16)13-18/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3,(H,23,28)
InChIKeyZILRURUWXVBDFJ-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 2526606
(5R)-3-[2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41193621
(5R)-3-[2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41367932
N-cyclopentyl-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24537305
3-[2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 17451643
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-2-ylimidazolidine-2,4-dione
CID 51288588
5-methyl-3-[2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55428506
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 42898015) is 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is CC1CCCCN1C(=O)CN1C(=O)NC(C)(c2ccc3ccccc3c2)C1=O.
What is the InChIKey of 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is ZILRURUWXVBDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-7-5-6-12-24(15)19(26)14-25-20(27)22(2,23-21(25)28)18-11-10-16-8-3-4-9-17(16)13-18/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione?
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 379.46 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42898015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).