(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C14H23N3O4 — CID 95166292

IUPAC(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-10-4-6-16(7-5-10)11(18)8-17-12(19)14(2,9-21-3)15-13(17)20/h10H,4-9H2,1-3H3,(H,15,20)/t14-/m0/s1
InChIKeyPHFNJPDKHOBBTA-AWEZNQCLSA-N
MW297.35 g/mol
LogP0.20
Rot. Bonds4

About (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 95166292) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID95166292
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOC[C@]1(C)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-10-4-6-16(7-5-10)11(18)8-17-12(19)14(2,9-21-3)15-13(17)20/h10H,4-9H2,1-3H3,(H,15,20)/t14-/m0/s1
InChIKeyPHFNJPDKHOBBTA-AWEZNQCLSA-N
XLogP0.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione with MolForge

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Related Compounds

3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-thiophen-3-ylimidazolidine-2,4-dione
CID 60617583
5-(furan-2-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 51249918
5-ethyl-3-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 62371838
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
CID 49063313
3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 51138847
(5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7962414
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120814508
3-[(4S)-4-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 52507384

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 95166292) is (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is COC[C@]1(C)NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O.
What is the InChIKey of (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is PHFNJPDKHOBBTA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10-4-6-16(7-5-10)11(18)8-17-12(19)14(2,9-21-3)15-13(17)20/h10H,4-9H2,1-3H3,(H,15,20)/t14-/m0/s1.
What are the key properties of (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 297.35 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95166292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).