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

C14H21ClN4O4 — CID 119469746

IUPAC1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2CN)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)9-11(19)16-7-4-3-5-10(16)8-15;/h2,10H,1,3-9,15H2;1H
InChIKeyQZSRDGSDMPWGJO-UHFFFAOYSA-N
MW344.80 g/mol
LogP-0.28
Rot. Bonds5

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

1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride (PubChem CID 119469746) has the molecular formula C14H21ClN4O4 and a molecular weight of 344.80 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
PubChem CID119469746
Molecular FormulaC14H21ClN4O4
Molecular Weight344.80 g/mol
Exact Mass344.13
IUPAC Name1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
SMILESC=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2CN)C1=O.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)9-11(19)16-7-4-3-5-10(16)8-15;/h2,10H,1,3-9,15H2;1H
InChIKeyQZSRDGSDMPWGJO-UHFFFAOYSA-N
XLogP-0.28
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-0.28
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'}

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Related Compounds

1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119437679
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119468460
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 119469336
6-methyl-1-[2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122113792
1-[2-(aminomethyl)piperidin-1-yl]-2-prop-2-enoxyethanone
CID 119469700
N-[2-(aminomethyl)cyclopentyl]-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide;hydrochloride
CID 119605201
2-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione
CID 119468146
1-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride
CID 119639366
1-(2-oxo-2-piperazin-1-ylethyl)-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119403829
1-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one;hydrochloride
CID 119632444
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
2-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-5-bromoisoindole-1,3-dione;hydrochloride
CID 119632970

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride?
The IUPAC name of 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride (CID 119469746) is 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride.
What is the SMILES notation for 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride?
The canonical SMILES for 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride is C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC2CN)C1=O.Cl.
What is the InChIKey of 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride?
The InChIKey is QZSRDGSDMPWGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4.ClH/c1-2-6-17-12(20)13(21)18(14(17)22)9-11(19)16-7-4-3-5-10(16)8-15;/h2,10H,1,3-9,15H2;1H.
What are the key properties of 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride?
1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of -0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione;hydrochloride is sourced from PubChem (CID 119469746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).