1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C14H24N4O3 — CID 119521079

IUPAC1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1
InChIInChI=1S/C14H24N4O3/c1-9(15)10-4-6-17(7-5-10)11(19)8-18-13(21)16-12(20)14(18,2)3/h9-10H,4-8,15H2,1-3H3,(H,16,20,21)
InChIKeyWYJAFRNLAOLQTE-UHFFFAOYSA-N
MW296.37 g/mol
LogP-0.10
Rot. Bonds3

About 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 119521079) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID119521079
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC(N)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1
InChIInChI=1S/C14H24N4O3/c1-9(15)10-4-6-17(7-5-10)11(19)8-18-13(21)16-12(20)14(18,2)3/h9-10H,4-8,15H2,1-3H3,(H,16,20,21)
InChIKeyWYJAFRNLAOLQTE-UHFFFAOYSA-N
XLogP-0.10
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 124594364
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-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
3-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119517289
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
5,5-dimethyl-1-[2-oxo-2-[(5S)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]imidazolidine-2,4-dione
CID 97136315
1-[4-(1-aminoethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 63595847
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63594626
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 119521079) is 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC(N)C1CCN(C(=O)CN2C(=O)NC(=O)C2(C)C)CC1.
What is the InChIKey of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is WYJAFRNLAOLQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-9(15)10-4-6-17(7-5-10)11(19)8-18-13(21)16-12(20)14(18,2)3/h9-10H,4-8,15H2,1-3H3,(H,16,20,21).
What are the key properties of 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 119521079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).