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

C12H20N4O3 — CID 124594364

IUPAC1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C12H20N4O3/c1-12(2)10(18)14-11(19)16(12)7-9(17)15-5-3-4-8(13)6-15/h8H,3-7,13H2,1-2H3,(H,14,18,19)/t8-/m0/s1
InChIKeyVSQJXFHDVYWSGG-QMMMGPOBSA-N
MW268.32 g/mol
LogP-0.73
Rot. Bonds2

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

1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 124594364) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID124594364
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C12H20N4O3/c1-12(2)10(18)14-11(19)16(12)7-9(17)15-5-3-4-8(13)6-15/h8H,3-7,13H2,1-2H3,(H,14,18,19)/t8-/m0/s1
InChIKeyVSQJXFHDVYWSGG-QMMMGPOBSA-N
XLogP-0.73
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 119521079
1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 119380481
1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 120746137
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
1-[2-[4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 50963826
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
CID 119380103
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(3-aminopiperidin-1-yl)-2-(1H-pyrrol-2-yl)ethanone
CID 115277206
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 124594364) is 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)NC(=O)N1CC(=O)N1CCC[C@H](N)C1.
What is the InChIKey of 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VSQJXFHDVYWSGG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-12(2)10(18)14-11(19)16(12)7-9(17)15-5-3-4-8(13)6-15/h8H,3-7,13H2,1-2H3,(H,14,18,19)/t8-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 268.32 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 124594364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).