1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride

C14H25ClN4O3 — CID 119423717

IUPAC1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCC(CN)CC2)C(=O)C1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-2-16-7-8-18(14(21)13(16)20)10-12(19)17-5-3-11(9-15)4-6-17;/h11H,2-10,15H2,1H3;1H
InChIKeyRRCXXHJHARYRKC-UHFFFAOYSA-N
MW332.83 g/mol
LogP-0.70
Rot. Bonds4

About 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride

1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride (PubChem CID 119423717) has the molecular formula C14H25ClN4O3 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
PubChem CID119423717
Molecular FormulaC14H25ClN4O3
Molecular Weight332.83 g/mol
Exact Mass332.16
IUPAC Name1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
SMILESCCN1CCN(CC(=O)N2CCC(CN)CC2)C(=O)C1=O.Cl
InChIInChI=1S/C14H24N4O3.ClH/c1-2-16-7-8-18(14(21)13(16)20)10-12(19)17-5-3-11(9-15)4-6-17;/h11H,2-10,15H2,1H3;1H
InChIKeyRRCXXHJHARYRKC-UHFFFAOYSA-N
XLogP-0.70
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride
CID 119380481
1-ethyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione;hydrochloride
CID 119579540
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-5,5-diethylimidazolidine-2,4-dione;hydrochloride
CID 119423789
1-[4-(aminomethyl)piperidin-1-yl]-2-hydroxyethanone
CID 68628787
1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371588
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
1-[4-(aminomethyl)piperidin-1-yl]-2-cycloheptylethanone;hydrochloride
CID 119423614
1-ethyl-4-[2-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 45220082
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 103805372

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The IUPAC name of 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride (CID 119423717) is 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride.
What is the SMILES notation for 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The canonical SMILES for 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride is CCN1CCN(CC(=O)N2CCC(CN)CC2)C(=O)C1=O.Cl.
What is the InChIKey of 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
The InChIKey is RRCXXHJHARYRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3.ClH/c1-2-16-7-8-18(14(21)13(16)20)10-12(19)17-5-3-11(9-15)4-6-17;/h11H,2-10,15H2,1H3;1H.
What are the key properties of 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride?
1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride has a molecular weight of 332.83 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-4-ethylpiperazine-2,3-dione;hydrochloride is sourced from PubChem (CID 119423717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).