1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione

C15H22N4O4 — CID 119437679

IUPAC1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2C(C)N)C1=O
InChIInChI=1S/C15H22N4O4/c1-3-7-18-13(21)14(22)19(15(18)23)9-12(20)17-8-5-4-6-11(17)10(2)16/h3,10-11H,1,4-9,16H2,2H3
InChIKeyKZYWPEHMBQICHH-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.31
Rot. Bonds5

About 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione

1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione (PubChem CID 119437679) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
PubChem CID119437679
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2C(C)N)C1=O
InChIInChI=1S/C15H22N4O4/c1-3-7-18-13(21)14(22)19(15(18)23)9-12(20)17-8-5-4-6-11(17)10(2)16/h3,10-11H,1,4-9,16H2,2H3
InChIKeyKZYWPEHMBQICHH-UHFFFAOYSA-N
XLogP-0.31
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione 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-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119469746
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 119435273
6-methyl-1-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122113792
1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124692827
1-[2-[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 124688615
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119434910
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione (CID 119437679) is 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione is C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2C(C)N)C1=O.
What is the InChIKey of 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
The InChIKey is KZYWPEHMBQICHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-3-7-18-13(21)14(22)19(15(18)23)9-12(20)17-8-5-4-6-11(17)10(2)16/h3,10-11H,1,4-9,16H2,2H3.
What are the key properties of 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione?
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione has a molecular weight of 322.37 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione is sourced from PubChem (CID 119437679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).